SCHEMBL14413738

SCHEMBL14413738

COc1cc(C2CCCNC2)nc2ccnn12

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 18/20 0.72
▸ CCNA2 P20248 16/20 0.72
▸ CDK2 P24941 16/20 0.72
▸ CCNA1 P78396 16/20 0.72

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
SCHEMBL30757838 0.84 CHEK1 (1.00) CHEK1CCNA2CDK2CCNA1
SCHEMBL16784468 0.84 CHEK1 (1.00) CHEK1CCNA2CDK2CCNA1
SCHEMBL14050869 0.81 CHEK1 (0.70) CHEK1CCNA2CDK2CCNA1
SCHEMBL16784469 0.81 CHEK1 (0.73) CHEK1CCNA2CDK2CCNA1
SCHEMBL14413740 0.81 CHEK1 (0.73) CHEK1CCNA2CDK2CCNA1
SCHEMBL14542953 0.78 CHEK1 (0.73) CHEK1CCNA2CDK2CCNA1
SCHEMBL17826802 0.78 CHEK1 (0.57) CHEK1CCNA2CDK2CCNA1
SCHEMBL14543105 0.76 CHEK1 (0.77) CHEK1CCNA2CDK2CCNA1
SCHEMBL16784500 0.76 CHEK1 (0.77) CHEK1CCNA2CDK2CCNA1
SCHEMBL14543108 0.74 CHEK1 (0.77) 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 5 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-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 — — US disclosed
US-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 — — US disclosed
WO-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — 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 (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