SCHEMBL14413550

SCHEMBL14413550

CC(C)(C)OC(=O)N1CCCC(c2cc(N)n3ncc(-c4ccsc4Cl)c3n2)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 11/20 0.42
▸ CCNA2 P20248 9/20 0.42
▸ CDK2 P24941 9/20 0.42
▸ CCNA1 P78396 9/20 0.42
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ TRPV3 Q8NET8 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ PRMT5 O14744 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ HPGDS O60760 1/20 0.37
▸ CCNK O75909 1/20 0.37
▸ CDK12 Q9NYV4 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
SCHEMBL14050793 0.91 TRPV3 (0.38) ALOX5APFEN1TRPV3USP30PRMT5
SCHEMBL14413562 0.88 CHEK1 (0.41) CHEK1CCNA2CDK2CCNA1ALOX5AP
SCHEMBL14050857 0.87 CHEK1 (0.59) CHEK1CCNA2CDK2CCNA1ALOX5AP
SCHEMBL14050911 0.85 CHEK1 (0.59) CHEK1CCNA2CDK2CCNA1ALOX5AP
SCHEMBL14050948 0.85 CCNA2 (0.42) CHEK1CCNA2CDK2CCNA1ALOX5AP
SCHEMBL14050913 0.85 CHEK1 (0.56) CHEK1CCNA2CDK2CCNA1TRPV3
SCHEMBL14051084 0.84 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1ALOX5AP
SCHEMBL14413549 0.84 CHEK1 (0.42) CHEK1CCNA2CDK2CCNA1ALOX5AP
SCHEMBL14051065 0.83 CHEK1 (0.59) CHEK1CCNA2CDK2CCNA1ALOX5AP
SCHEMBL14051064 0.83 CHEK1 (0.58) CHEK1CCNA2CDK2CCNA1ALOX5AP

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 6 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
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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