SCHEMBL13675339

SCHEMBL13675339

CN1CC(c2cnn3c(N)cc([C@H]4CC[C@@H](C(N)=O)NC4)nc23)C=N1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 17/20 0.41
CCNA2 P20248 15/20 0.41
CDK2 P24941 15/20 0.41
CCNA1 P78396 15/20 0.41
SRC P12931 1/20 0.34

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
SCHEMBL14542647 0.93 CHEK1 (0.41) CHEK1CCNA2CDK2CCNA1
SCHEMBL10280551 0.91 CHEK1 (0.39) CHEK1CCNA2CDK2CCNA1
SCHEMBL10280630 0.91 CHEK1 (0.39) CHEK1CCNA2CDK2CCNA1SRC
SCHEMBL13675254 0.91 CHEK1 (0.39) CHEK1CCNA2CDK2CCNA1SRC
SCHEMBL10280158 0.91 CHEK1 (0.39) CHEK1CCNA2CDK2CCNA1SRC
SCHEMBL14542662 0.91 CHEK1 (0.39) CHEK1CCNA2CDK2CCNA1SRC
SCHEMBL11937072 0.88 CHEK1 (0.38) CHEK1CCNA2CDK2CCNA1
SCHEMBL13675271 0.88 CHEK1 (0.38) CHEK1CCNA2CDK2CCNA1
SCHEMBL14542638 0.87 CHEK1 (0.38) CHEK1CCNA2CDK2CCNA1SRC
SCHEMBL11936836 0.87 CHEK1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605155-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-10-20 US disclosed
US-20070072881-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-29 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-20070072881-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CHEK1 60/4885CCNA2 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.