SCHEMBL14545841

SCHEMBL14545841

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(S(=O)(=O)c4ccc(S(C)(=O)=O)cc4)CC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.56
▸ CHEK1 O14757 1/20 0.46
▸ NAMPT P43490 7/20 0.46
▸ CYP2C9 P11712 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KMT2A Q03164 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
SCHEMBL12954475 0.94 GSK3B (0.58) GSK3BCHEK1NAMPTCYP2C9LMNA
SCHEMBL13289097 0.93 GSK3B (0.59) GSK3BCHEK1NAMPTLMNA
SCHEMBL13288870 0.92 GSK3B (0.56) GSK3BCHEK1NAMPT
SCHEMBL14307166 0.92 GSK3B (0.56) GSK3BCHEK1NAMPTCYP2C9LMNA
SCHEMBL14418828 0.91 GSK3B (0.57) GSK3BCHEK1NAMPTCYP2C9LMNA
SCHEMBL14607249 0.91 GSK3B (0.55) GSK3BCHEK1NAMPTCYP2C9LMNA
SCHEMBL13120560 0.91 GSK3B (0.71) GSK3B
SCHEMBL13305374 0.90 GSK3B (0.61) GSK3BCHEK1
SCHEMBL14418840 0.89 GSK3B (0.53) GSK3BCHEK1NAMPTCYP2C9LMNA
SCHEMBL12954082 0.89 GSK3B (0.53) GSK3BCHEK1NAMPTCYP2C9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 — — US disclosed
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors SCHERING CORPORATION 2007-02-15 — — 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 (2 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-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors CDK2, CDK5, CDKN1A GSK3B 937/4885CHEK1 77/4885NAMPT 285/4885
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A GSK3B 695/4885CHEK1 60/4885NAMPT 579/4885

“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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