SCHEMBL91395

SCHEMBL91395

CCc1cnccc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CYP1A2 P05177 4/20 0.45
CYP2C19 P33261 4/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2E1 P05181 3/20 0.45
CYP2A6 P11509 3/20 0.45
CYP2B6 P20813 3/20 0.45
CYP2C9 P11712 1/20 0.45
SLC6A2 P23975 4/20 0.44
SLC6A4 P31645 4/20 0.44
SLC6A3 Q01959 1/20 0.43
CA14 Q9ULX7 1/20 0.42
TSPO P30536 2/20 0.41

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
SCHEMBL10175184 0.83 CA12 (0.46) CA12CA1CA2CA9CYP1A2
SCHEMBL5179904 0.82 SLC6A2 (0.46) CA12CA1CA2CA9CYP1A2
SCHEMBL1847294 0.82 SLC6A4 (0.46) CA12CA1CA2CA9CYP1A2
SCHEMBL22193248 0.82 CA12 (0.57) CA12CA1CA2CA9MEN1
SCHEMBL1770449 0.82 CYP11B1 (0.45) CA12CA1CA2CA9CYP1A2
SCHEMBL4483018 0.82 CYP1A2 (0.51) CA12CA1CA2CA9CYP1A2
SCHEMBL31119316 0.82 CYP1A2 (0.51) CA12CA1CA2CA9CYP1A2
SCHEMBL21847315 0.82 SLC6A2 (0.46) CA12CA1CA2CA9CYP1A2
SCHEMBL17318487 0.81 CA12 (0.45) CA12CA1CA2CA9CYP1A2
SCHEMBL31444905 0.80 HSD17B10 (0.54) CA12CA1CA2CA9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2023-06-08 US disclosed
WO-2021211882-A1 METHODS FOR PREPARING TYROSINE RECEPTOR KINASE INHIBITORS PYRAMID BIOSCIENCES, INC. (US) 2021-10-21 WO disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 US disclosed
US-7737295-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-15 US disclosed
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases WYETH (US) 2010-05-13 US disclosed
WO-2010024430-A1 2,4-DIAMINOPYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-03-04 WO disclosed
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-07-30 US disclosed
US-20090143367-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-a]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 ELBION GMBH (DE) 2009-06-04 US disclosed
US-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-01-01 US disclosed
US-20080004282-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 US disclosed
US-20070225365-A1 Cetp Inhibitors MERCK & CO., INC. (US) 2007-09-27 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 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 (14 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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ERBB2, ERBB3, ERBB4 CA12 3776/4885CA1 4104/4885CA2 2941/4885
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B CA12 4799/4885CA1 4789/4885CA2 3057/4885
US-20070225365-A1 Cetp Inhibitors CETP, APOB, NPC1 CA12 4784/4885CA1 4764/4885CA2 4358/4885
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 CA12 1003/4885CA1 268/4885CA2 273/4885
US-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS PDXK, MAP3K4, PDPK1 CA12 4803/4885CA1 4571/4885CA2 3557/4885
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF HDAC1, HDAC7, HDAC5 CA12 2066/4885CA1 1913/4885CA2 3001/4885
US-20080004282-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 CA12 3310/4885CA1 598/4885CA2 222/4885
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 CA12 2971/4885CA1 2132/4885CA2 1455/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 CA12 4691/4885CA1 3998/4885CA2 2940/4885
US-20090143367-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-a]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 PDE12, PDE5A, PDE10A CA12 4639/4885CA1 4241/4885CA2 2366/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 CA12 1490/4885CA1 1426/4885CA2 2464/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 CA12 4135/4885CA1 2742/4885CA2 4268/4885
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases PDE2A, PDE5A, PDE12 CA12 4017/4885CA1 4031/4885CA2 1378/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS CA12 3886/4885CA1 2843/4885CA2 3852/4885

“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.