SCHEMBL14418828

SCHEMBL14418828

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.57
▸ CYP2C9 P11712 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CHEK1 O14757 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ NAMPT P43490 4/20 0.44
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CDK2 P24941 1/20 0.42

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
SCHEMBL14418829 0.92 GSK3B (0.56) GSK3BCYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL13120560 0.91 GSK3B (0.71) GSK3BCDK2
SCHEMBL14545841 0.91 GSK3B (0.56) GSK3BCYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL13304919 0.90 GSK3B (0.62) GSK3BCHEK1CDK2
SCHEMBL14613487 0.87 GSK3B (0.56) GSK3BCHEK1KMT2ACDK2
SCHEMBL13120506 0.87 GSK3B (0.71) GSK3BCYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL12954475 0.85 GSK3B (0.58) GSK3BCYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL13120563 0.85 GSK3B (0.73) GSK3BCDK2
SCHEMBL13120531 0.84 GSK3B (0.70) GSK3BCDK2
SCHEMBL13289097 0.84 GSK3B (0.59) GSK3BCHEK1LMNANAMPTCDK2

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 749/4885CYP2C9 2177/4885CYP3A4 1944/4885

“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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