SCHEMBL14418649

SCHEMBL14418649

Cc1cnn2c(NCc3cccnc3)cc(C3CCCN(C(=O)NC(c4ccccc4)c4ccccc4)C3)nc12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 13/20 0.53
▸ CHEK1 O14757 2/20 0.47
▸ CDK2 P24941 5/20 0.41
▸ CCNE1 P24864 3/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13121559 0.91 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL12954511 0.91 GSK3B (0.53) GSK3BCHEK1CDK2CCNE1CCNA2
SCHEMBL14545949 0.87 GSK3B (0.60) GSK3BCHEK1CDK2CCNE1
SCHEMBL14418650 0.86 GSK3B (0.61) GSK3BCHEK1CDK2CCNE1
SCHEMBL13121524 0.86 GSK3B (0.64) GSK3BCDK2CCNE1
SCHEMBL13121525 0.86 GSK3B (0.64) GSK3BCDK2CCNE1
SCHEMBL14418651 0.86 GSK3B (0.55) GSK3BCHEK1CDK2CCNE1CCNA2
SCHEMBL14607246 0.85 GSK3B (0.53) GSK3BCHEK1CDK2CCNE1CCNA2
SCHEMBL14545280 0.84 GSK3B (0.51) GSK3BCHEK1CDK2CCNE1
SCHEMBL14545947 0.84 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 — — 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 GSK3B 749/4885CHEK1 58/4885CDK2 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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