SCHEMBL14050956

SCHEMBL14050956

CC(C)(C)OC(=O)N1CCCC(c2cc(N)n3ncc(C#Cc4ccccc4)c3n2)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 3/20 0.45
▸ CCNA2 P20248 3/20 0.45
▸ CDK2 P24941 3/20 0.45
▸ CCNA1 P78396 3/20 0.45
▸ HPGDS O60760 2/20 0.42
▸ PRMT5 O14744 2/20 0.42
▸ USP30 Q70CQ3 3/20 0.40
▸ TRPV3 Q8NET8 1/20 0.38
▸ MAP3K12 Q12852 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ ADA P00813 2/20 0.38
▸ ALOX5AP P20292 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ SMARCA2 P51531 1/20 0.37
▸ SMARCA4 P51532 1/20 0.37
▸ PBRM1 Q86U86 1/20 0.37

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
SCHEMBL14413528 0.91 HPGDS (0.42) HPGDSPRMT5USP30TRPV3ALOX5AP
SCHEMBL14413558 0.89 CHEK1 (0.57) CHEK1CCNA2CDK2CCNA1HPGDS
SCHEMBL14050913 0.85 CHEK1 (0.56) CHEK1CCNA2CDK2CCNA1HPGDS
SCHEMBL14418821 0.82 CHEK1 (0.42) CHEK1CCNA2CDK2CCNA1HPGDS
SCHEMBL14942244 0.82 CHEK1 (0.53) CHEK1CCNA2CDK2CCNA1HPGDS
SCHEMBL11937406 0.81 CHEK1 (0.49) CHEK1CCNA2CDK2CCNA1HPGDS
SCHEMBL14413532 0.80 CHEK1 (0.45) CHEK1CCNA2CDK2CCNA1HPGDS
SCHEMBL14051065 0.79 CHEK1 (0.59) CHEK1CCNA2CDK2CCNA1HPGDS
SCHEMBL14413537 0.79 CHEK1 (0.57) CHEK1CCNA2CDK2CCNA1HPGDS
SCHEMBL14050857 0.79 CHEK1 (0.59) CHEK1CCNA2CDK2CCNA1HPGDS

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931677-B1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-04-20 — — 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-8580782-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-12 — — 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
WO-2008130569-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 — — WO disclosed
US-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 — — US disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 — — 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 (1 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-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 CHEK1 58/4885CCNA2 29/4885CDK2 1/4885

“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.

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