Sugi Predict

Sugi Predict / Compounds / SCHEMBL12413780

SCHEMBL12413780

SCHEMBL12413780

Cc1cc(C(F)(F)F)cc(C(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.36
▸ TACR1 P25103 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ IKBKB O14920 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ ACACB O00763 1/20 0.32
▸ NR2E1 Q9Y466 1/20 0.32
▸ GAA P10253 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10025587 0.80 HSP90AA1 (0.46) HSP90AA1HSP90AB1IKBKBNR2E1GAA
SCHEMBL13822035 0.80 CYP3A4 (0.58) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL24355384 0.78 NOS3 (0.55) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL18711831 0.78 CYP3A4 (0.43) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL562879 0.78 CYP3A4 (0.43) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL15980640 0.78 NOS3 (0.37) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL807740 0.76 CYP3A4 (0.44) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL26418878 0.74 CYP3A4 (0.40) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL2609388 0.74 LMNA (0.42) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL31448288 0.74 HSP90AA1 (0.42) HSP90AA1HSP90AB1IKBKBNR2E1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541055-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2023-01-03 — — US disclosed
US-11345714-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2022-05-31 — — US disclosed
US-20210139500-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. (US) 2021-05-13 — — US disclosed
EP-3194385-B3 N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM CHRONOS THERAPEUTICS LTD (GB) 2021-02-17 — — EP disclosed
US-10889593-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2021-01-12 — — US disclosed
US-20200360384-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2020-11-19 — — US disclosed
US-20200048267-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2020-02-13 — — US disclosed
US-20190322683-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. 2019-10-24 — — US disclosed
US-10336771-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2019-07-02 — — US disclosed
WO-2018118947-A1 THIENOPYRROLE DERIVATIVES FOR USE IN TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. (US) 2018-06-28 — — WO disclosed
US-20100016320-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-21 — — US disclosed
US-20100016320-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-21 — — US disclosed
US-7605273-B2 Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-20 — — US disclosed
US-20080275092-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 — — US disclosed
US-7414056-B2 Pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-19 — — US disclosed
US-7396935-B2 Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-08 — — US disclosed
US-7390810-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-24 — — US disclosed
US-7390810-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-24 — — US disclosed
US-20080108626-A1 (5-amino-1-phenyl-1H-pyrazole)-(3-Amino-N-isoxazol-3-yl-4-methyl)-benzamide; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
US-20080108626-A1 (5-amino-1-phenyl-1H-pyrazole)-(3-Amino-N-isoxazol-3-yl-4-methyl)-benzamide; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080275092-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAPK6, CDK6, GRK6 CYP3A4 660/4885CYP2D6 37/4885TSHR 905/4885
US-20100016320-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAPK6, CDK6, GRK6 CYP3A4 660/4885CYP2D6 37/4885TSHR 905/4885
US-11345714-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 CYP3A4 3800/4885CYP2D6 4680/4885TSHR 4025/4885
US-11541055-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H CYP3A4 620/4885CYP2D6 1203/4885TSHR 4832/4885
US-20210139500-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, CKS2 CYP3A4 3585/4885CYP2D6 4651/4885TSHR 4026/4885
US-20200048267-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN CYP3A4 4278/4885CYP2D6 4092/4885TSHR 4632/4885
US-10336771-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 CYP3A4 3800/4885CYP2D6 4680/4885TSHR 4025/4885
US-20080108626-A1 (5-amino-1-phenyl-1H-pyrazole)-(3-Amino-N-isoxazol-3-yl-4-methyl)-benzamide; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease MAPK1, MAPK3, TNF CYP3A4 3702/4885CYP2D6 3910/4885TSHR 1952/4885
US-10889593-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 CYP3A4 3800/4885CYP2D6 4680/4885TSHR 4025/4885
US-20200360384-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H CYP3A4 620/4885CYP2D6 1203/4885TSHR 4832/4885
US-20190322683-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, EPAS1 CYP3A4 3800/4885CYP2D6 4680/4885TSHR 4025/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.