SCHEMBL1380751

SCHEMBL1380751

O=C1CCc2c[c]ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PBRM1 Q86U86 1/20 0.39
HSD17B1 P14061 3/20 0.39
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
CYP2A6 P11509 1/20 0.38
GRM5 P41594 1/20 0.37
CYP1A2 P05177 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PRKCI P41743 1/20 0.33
TYMS P04818 1/20 0.33
PGR P06401 1/20 0.33
CES1 P23141 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 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
SCHEMBL1891844 0.88 MAOA (0.53) HSD17B1MAOBMAOACYP2A6GRM5
SCHEMBL7112522 0.85 MAOA (0.35) CASP1CASP7HSD17B10PBRM1HSD17B1
SCHEMBL134194 0.84
SCHEMBL1451149 0.83 PBRM1 (0.44) CASP1CASP7HSD17B10PBRM1HSD17B1
SCHEMBL23277084 0.82 PBRM1 (0.33) CASP1CASP7HSD17B10PBRM1MAOB
SCHEMBL22367713 0.80
SCHEMBL8162675 0.76 CES1 (0.61) MAOBMAOACYP2A6CYP11B2CES1
SCHEMBL4824206 0.76
SCHEMBL476341 0.74 CES1 (0.46) MAOBMAOACYP2A6CYP11B1CYP11B2
SCHEMBL3622863 0.72 MAOA (0.42) HSD17B10MAOBMAOACYP1A2TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105980386-B Pyrazolo compounds and uses thereof 基因泰克公司 2021-08-13 CN claimed
US-20200101068-A1 Heteroaryl Derivatives as PARP Inhibitors LUPIN LIMITED (IN) 2020-04-02 US claimed
EP-2970307-B1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-03-11 EP claimed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 US claimed
EP-3337802-A1 HETEROARYL DERIVATIVES AS PARP INHIBITORS Lupin Limited (IN) 2018-06-27 EP claimed
WO-2017029601-A1 HETEROARYL DERIVATIVES AS PARP INHIBITORS LUPIN LIMITED (IN) 2017-02-23 WO claimed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 US claimed
EP-2970307-A1 PYRAZOLO COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2016-01-20 EP claimed
WO-2015135094-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2015-09-17 WO claimed
WO-2014139326-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-09-18 WO claimed
EP-1608639-A2 NOVEL BICYCLIC UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-12-28 EP claimed
EP-1599467-A1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-11-30 EP claimed
WO-2005100301-A1 2-ARYLOXYETHYL GLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS ELI LILLY AND COMPANY (US) 2005-10-27 WO claimed
US-20050124637-A1 Compounds and compositions as inhibitors of receptor tyrosine kinase activity IRM LLC (BM) 2005-06-09 US claimed
WO-2005016528-A2 6-SUBSTITUTED ANILINO PURINES AS RTK INHIBITORS IRM LLC (BM) 2005-02-24 WO claimed
US-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2005-02-17 US claimed
US-20040235829-A1 Novel cyanopyridine derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2004-11-25 US claimed
WO-2004078747-A1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-09-16 WO claimed
WO-2004078748-A2 NOVEL BICYCLIC UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-09-16 WO claimed
US-6693108-B2 PYRIMIDINYL-GUANIDINE DERIVATIVES VERTEX PHARMACEUTICALS INCORPORATED 2004-02-17 US claimed

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-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders CCNC, UACA, SLC14A1 CASP1 1236/4885CASP7 704/4885HSD17B10 2099/4885
US-20050124637-A1 Compounds and compositions as inhibitors of receptor tyrosine kinase activity BMX, LCK, FYN CASP1 4185/4885CASP7 3452/4885HSD17B10 4329/4885
US-20040235829-A1 Novel cyanopyridine derivatives useful in the treatment of cancer and other disorders VHL, HCCS, CDK4 CASP1 1601/4885CASP7 1511/4885HSD17B10 3214/4885
US-10035801-B2 Pyrazolo compounds and uses thereof KDM5A, KDM5C, KDM5B CASP1 3037/4885CASP7 3193/4885HSD17B10 1406/4885
US-20200101068-A1 Heteroaryl Derivatives as PARP Inhibitors PARP1, PARP2, PARP3 CASP1 939/4885CASP7 1855/4885HSD17B10 1537/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B CASP1 3037/4885CASP7 3193/4885HSD17B10 1406/4885

“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.