SCHEMBL14418844

SCHEMBL14418844

Cc1cnn2c(NCc3cccnc3)cc(C3CCCN(C(=O)Nc4cc(OCF)cc(OCF)c4)C3)nc12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 0.49
▸ CHEK1 O14757 1/20 0.44
▸ FAAH O00519 1/20 0.41
▸ VNN1 O95497 3/20 0.40
▸ CDK2 P24941 6/20 0.38
▸ CCNE1 P24864 4/20 0.38

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
SCHEMBL14545280 0.85 GSK3B (0.51) GSK3BCHEK1FAAHCDK2CCNE1
SCHEMBL13121547 0.85 GSK3B (0.63) GSK3BCDK2CCNE1
SCHEMBL14607246 0.83 GSK3B (0.53) GSK3BCHEK1VNN1CDK2CCNE1
SCHEMBL14545949 0.83 GSK3B (0.60) GSK3BCHEK1VNN1CDK2CCNE1
SCHEMBL14418650 0.82 GSK3B (0.61) GSK3BCHEK1VNN1CDK2CCNE1
SCHEMBL12954332 0.82 GSK3B (0.53) GSK3BCHEK1FAAHVNN1CDK2
SCHEMBL14545281 0.82 GSK3B (0.50) GSK3BCHEK1FAAH
SCHEMBL14545947 0.81 GSK3B (0.56) GSK3BCHEK1VNN1CDK2CCNE1
SCHEMBL14418649 0.81 GSK3B (0.53) GSK3BCHEK1CDK2CCNE1
SCHEMBL13121519 0.81 GSK3B (0.65) GSK3BCDK2CCNE1

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 58/4885FAAH 3859/4885

“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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