SCHEMBL7426740

SCHEMBL7426740

Cc1ccc(F)c(C#N)c1Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
LMNA P02545 3/20 0.33
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.31
EPAS1 Q99814 1/20 0.31

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
SCHEMBL16680707 0.82 TRPV4 (0.39) TRPV4GAAALDH1A1KDM4EHSD17B10
SCHEMBL17192918 0.78 TRPV4 (0.37) TRPV4GAAGFERALDH1A1KDM4E
SCHEMBL16136624 0.78 TRPV4 (0.37) TRPV4GAAGFERALDH1A1KDM4E
SCHEMBL16122331 0.77 TRPV4 (0.41) TRPV4ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL24663165 0.75 TRPV4 (0.34) TRPV4GAAGFERALDH1A1KDM4E
SCHEMBL15788601 0.75 BIRC5 (0.38) GAAALDH1A1KDM4ELMNAHSD17B10
SCHEMBL7476285 0.75 GAA (0.40) TRPV4GAAGFERALDH1A1KDM4E
SCHEMBL29723241 0.75 TRPV4 (0.34) TRPV4GAAGFERALDH1A1KDM4E
SCHEMBL286417 0.75 TRPV4 (0.34) TRPV4GAAGFERALDH1A1KDM4E
SCHEMBL4697050 0.75 ALDH1A1 (0.36) TRPV4GAAGFERALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2023-07-20 US disclosed
US-20210380595-A1 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS ARAXES PHARMA LLC (US) 2021-12-09 US disclosed
CN-113207291-A 2- (2-acryloyl-2, 6-diazaspiro [3.4] oct-6-yl) -6- (1H-indazol-4-yl) benzonitrile derivatives and related compounds as inhibitors of G12C mutant KRAS protein for inhibiting tumor metastasis 亚瑞克西斯制药公司 2021-08-03 CN disclosed
WO-2021052499-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海济煜医药科技有限公司 2021-03-25 WO disclosed
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-06-02 US disclosed
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-06-02 US disclosed
EP-3066100-B1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS Bayer Pharma AG (DE) 2019-04-17 EP disclosed
EP-3066100-B1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS Bayer Pharma AG (DE) 2019-04-17 EP disclosed
US-20180344739-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-12-06 US disclosed
US-10098883-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-10-16 US disclosed
US-9598417-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-21 US disclosed
US-9598417-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-21 US disclosed
EP-3066100-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS Bayer Pharma Aktiengesellschaft (DE) 2016-09-14 EP disclosed
WO-2015067549-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 WO disclosed
WO-2015067549-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 WO disclosed
US-20150126449-A1 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-07 US disclosed
US-20150126449-A1 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-07 US disclosed
US-20150126449-A1 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-07 US disclosed
WO-2001079195-A2 PYRIDINE AND PYRAZINE DERIVATIVES AS THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 2001-10-25 WO disclosed
WO-2001079193-A2 SUBSTITUTED HYDRAZINYL HETEROAROMATIC INHIBITORS OF THROMBIN CORVAS INTERNATIONAL, INC. (US) 2001-10-25 WO 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 (6 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-20180344739-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE SERPINB6, SERPINC1, SERPINE1 TRPV4 3626/4885GAA 3619/4885GFER 3301/4885
US-20210380595-A1 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS KRAS, NRAS, G3BP2 TRPV4 3374/4885GAA 3772/4885GFER 4027/4885
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 TRPV4 3626/4885GAA 3619/4885GFER 3301/4885
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, WEE1 TRPV4 3127/4885GAA 4312/4885GFER 1248/4885
US-20150126449-A1 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 TRPV4 3626/4885GAA 3619/4885GFER 3301/4885
US-10098883-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 TRPV4 3626/4885GAA 3619/4885GFER 3301/4885

“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.