SCHEMBL14418829

SCHEMBL14418829

Cc1cnn2c(NCc3cccnc3)cc(C3CCN(S(=O)(=O)c4ccc(Cc5ccccc5)cc4)CC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 10/20 0.56
▸ NAMPT P43490 3/20 0.47
▸ CYP2C9 P11712 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CHEK1 O14757 1/20 0.46
▸ LMNA P02545 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43

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
SCHEMBL14418828 0.92 GSK3B (0.57) GSK3BNAMPTCYP2C9CYP3A4CYP2D6
SCHEMBL14307166 0.91 GSK3B (0.56) GSK3BNAMPTCYP2C9CYP3A4CYP2D6
SCHEMBL14581275 0.91 GSK3B (0.70) GSK3BCCNE1CDK2
SCHEMBL13304919 0.87 GSK3B (0.62) GSK3BCHEK1CCNE1CDK2
SCHEMBL13289097 0.86 GSK3B (0.59) GSK3BNAMPTCHEK1LMNACCNE1
SCHEMBL13120527 0.86 GSK3B (0.74) GSK3BCCNE1CDK2
SCHEMBL14613487 0.85 GSK3B (0.56) GSK3BCHEK1CDK2
SCHEMBL13120506 0.85 GSK3B (0.71) GSK3BCYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL13120561 0.85 GSK3B (0.70) GSK3BCCNE1CDK2
SCHEMBL13288870 0.85 GSK3B (0.56) GSK3BNAMPTCHEK1CCNE1CDK2

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 749/4885NAMPT 677/4885CYP2C9 2177/4885

“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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