SCHEMBL1009636

SCHEMBL1009636

COC(=O)C1(C(=O)OC)CCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 7/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 3/20 0.37
CYP3A4 P08684 3/20 0.36
MAPT P10636 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EED O75530 1/20 0.32
SUZ12 Q15022 1/20 0.32
EZH2 Q15910 1/20 0.32
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD11B1 P28845 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
SCHEMBL12083378 0.78 CYP2C19 (0.39) CYP2C19NPSR1TSHRCYP3A4MAPT
SCHEMBL5352623 0.78 EED (0.42) CYP2C19NPSR1TSHRCYP3A4MAPT
SCHEMBL10046851 0.78 EED (0.42) CYP2C19NPSR1TSHRCYP3A4MAPT
SCHEMBL9583303 0.76 TSHR (0.39) CYP2C19NPSR1TSHRCYP3A4MAPT
SCHEMBL28545860 0.76 CYP2C19 (0.38) CYP2C19NPSR1TSHRCYP3A4MAPT
SCHEMBL3670181 0.76 CYP2C19 (0.41) CYP2C19NPSR1TSHRCYP3A4MAPT
SCHEMBL6116528 0.76 TSHR (0.36) CYP2C19NPSR1TSHRCYP3A4MAPT
SCHEMBL15658504 0.76 CYP2C9 (0.36) CYP2C19TSHRCYP3A4MAPTCYP2C9
SCHEMBL11063094 0.73 NPSR1 (0.31) NPSR1
SCHEMBL1577155 0.73 ATM (0.45) CYP2C19TSHRCYP3A4CYP2C9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102627639-B Macrocydic inhibitors of hepatitis c virus. 爱尔兰詹森科学公司 2017-04-12 CN disclosed
EP-1931677-B1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-04-20 EP disclosed
EP-1931677-B1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-04-20 EP disclosed
US-8673924-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
US-8673924-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
US-8673924-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
EP-2194058-B1 Pyrazolopyrimidines suitable for the treatment of cancer diseases MERCK SHARP & DOHME (US) 2013-11-27 EP disclosed
US-8586576-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-19 US disclosed
US-8586576-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-19 US disclosed
US-8580782-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-12 US disclosed
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 US disclosed
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 US disclosed
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 US disclosed
EP-1720882-A2 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2006-11-15 EP disclosed
US-7119200-B2 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2006-10-10 US disclosed
US-20060128725-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2006-06-15 US disclosed
WO-2005077954-A2 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2005-08-25 WO disclosed
EP-1537116-A1 PYRAZOLOPYRIMIDINES AS CYCLIN-DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2005-06-08 EP disclosed
US-20040209878-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION AND PHARMACOPEIA, INC. 2004-10-21 US disclosed
WO-2004022561-A1 PYRAZOLOPYRIMIDINES AS CYCLIN-DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2004-03-18 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 (2 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-20060128725-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CYP2C19 1527/4885NPSR1 4580/4885TSHR 3857/4885
US-20040209878-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDK5 CYP2C19 1300/4885NPSR1 4743/4885TSHR 4072/4885

“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.