SCHEMBL8575197

SCHEMBL8575197

Cc1cccc(C(=O)N(C)C)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.55
GRM5 P41594 2/20 0.51
RAB9A P51151 1/20 0.44
KDM4A O75164 1/20 0.44
CCR1 P32246 1/20 0.41
CCR8 P51685 1/20 0.41
MBOAT4 Q96T53 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.40
TGFBR1 P36897 1/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
CTSA P10619 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL18157885 0.87 TDP1 (0.52) RAB9AKDM4AMBOAT4KDM4EALOX15
SCHEMBL12678009 0.82 P2RX7 (0.53) P2RX7GRM5RAB9ACCR1CCR8
SCHEMBL3739445 0.82 P2RX7 (0.49) P2RX7GRM5RAB9ACCR1CCR8
SCHEMBL9966064 0.80 TDP1 (0.45) RAB9AKDM4AMBOAT4KDM4EALOX15
SCHEMBL17713102 0.80 KDM4E (0.68) RAB9AKDM4AKDM4EALOX15TSHR
SCHEMBL10085785 0.79 P2RX7 (0.54) P2RX7GRM5RAB9AKDM4ATDP1
SCHEMBL14875787 0.79 P2RX7 (0.50) P2RX7GRM5RAB9AKDM4ECYP1A2
SCHEMBL1958309 0.79 P2RX7 (0.62) P2RX7GRM5RAB9ACCR1CCR8
SCHEMBL2237588 0.79 P2RX7 (0.62) P2RX7GRM5RAB9ACCR1CCR8
SCHEMBL23967011 0.78 KDM4A (0.40) P2RX7RAB9AKDM4AMBOAT4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed
US-20240216378-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2024-07-04 US disclosed
US-11931363-B2 Triazolopyrimidine compounds and uses thereof NOVARTIS AG (CH) 2024-03-19 US disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed
US-20230033320-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH (CN) 2023-02-02 US disclosed
WO-2022008896-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS. GOLDING, LOUISE (GB) 2022-01-13 WO disclosed
US-11207325-B2 Triazolopyrimidine compounds and uses thereof NOVARTIS AG (CH) 2021-12-28 US disclosed
EP-3572413-B1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE AS WEE1 INHIBITOR SHIJIAZHUANG SAGACITY NEW DRUG DEV CO LTD (CN) 2021-11-03 EP disclosed
US-10954253-B2 1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one derivative as Wee1 inhibitor Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2021-03-23 US disclosed
EP-3300500-B9 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2021-01-13 EP disclosed
US-20170037026-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-09 US disclosed
WO-2016187308-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2016-11-24 WO disclosed
US-20160340336-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2016-11-24 US disclosed
WO-2016103155-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2016-06-30 WO disclosed
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
US-20120289502-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-15 US disclosed
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 US disclosed
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 US disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 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 (9 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-11931363-B2 Triazolopyrimidine compounds and uses thereof EZH2, DOT1L, EED P2RX7 2741/4885GRM5 1017/4885RAB9A 1415/4885
US-11207325-B2 Triazolopyrimidine compounds and uses thereof EZH2, DOT1L, EED P2RX7 2741/4885GRM5 1017/4885RAB9A 1415/4885
US-20120289502-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 P2RX7 120/4885GRM5 404/4885RAB9A 1616/4885
US-10954253-B2 1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one derivative as Wee1 inhibitor WEE1, WEE2, CCNE1 P2RX7 3505/4885GRM5 3577/4885RAB9A 2419/4885
US-20170037026-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 P2RX7 112/4885GRM5 613/4885RAB9A 660/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 P2RX7 120/4885GRM5 404/4885RAB9A 1616/4885
US-20240216378-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, EED P2RX7 2741/4885GRM5 1017/4885RAB9A 1415/4885
US-20230033320-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, EED P2RX7 2741/4885GRM5 1017/4885RAB9A 1415/4885
US-20160340336-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 P2RX7 112/4885GRM5 613/4885RAB9A 660/4885

“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.