SCHEMBL14413524

SCHEMBL14413524

COc1cc(C2CN(B(C)O)CCS2)nc2c(-c3cnn(C)c3)cnn12

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 20/20 0.41
▸ CCNA2 P20248 5/20 0.41
▸ CDK2 P24941 5/20 0.41
▸ CCNA1 P78396 5/20 0.41

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
SCHEMBL14413581 0.89 CHEK1 (0.52) CHEK1CCNA2CDK2CCNA1
SCHEMBL14413496 0.83 CHEK1 (0.34) CHEK1CCNA2CDK2CCNA1
SCHEMBL14413523 0.82 CHEK1 (0.39) CHEK1CCNA2CDK2CCNA1
SCHEMBL14050993 0.80 IRAK1 (0.39) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931610 0.80 CHEK1 (0.60) CHEK1CCNA2CDK2CCNA1
SCHEMBL14413626 0.77 CHEK1 (0.67) CHEK1CCNA2CDK2CCNA1
SCHEMBL14413527 0.71 CHEK1 (0.48) CHEK1CCNA2CDK2CCNA1
SCHEMBL14413582 0.71 CHEK1 (0.50) CHEK1CCNA2CDK2CCNA1
SCHEMBL14418809 0.71 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1
SCHEMBL13789204 0.70 IRAK1 (0.40) CHEK1CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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.

Send feedback