SCHEMBL14418651

SCHEMBL14418651

Cc1cnn2c(NCc3cccnc3)cc(C3CCCN(C(=O)CCc4ccccc4)C3)nc12

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 12/20 0.55
▸ CHEK1 O14757 2/20 0.48
▸ GFER P55789 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CDK2 P24941 3/20 0.42
▸ CCNE1 P24864 2/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CCNA1 P78396 1/20 0.42
▸ C3AR1 Q16581 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
SCHEMBL13119135 0.91 GSK3B (0.68) GSK3BCDK2CCNE1
SCHEMBL14607246 0.90 GSK3B (0.53) GSK3BCHEK1CDK2CCNE1CCNA2
SCHEMBL14545947 0.89 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1
SCHEMBL14545872 0.89 GSK3B (0.53) GSK3BCHEK1SMN1; SMN2CDK2CCNE1
SCHEMBL14545949 0.88 GSK3B (0.60) GSK3BCHEK1CDK2CCNE1
SCHEMBL14418650 0.87 GSK3B (0.61) GSK3BCHEK1CDK2CCNE1
SCHEMBL14545952 0.87 GSK3B (0.52) GSK3BCHEK1CDK2CCNE1CCNA2
SCHEMBL12954408 0.86 GSK3B (0.51) GSK3BCHEK1CDK2CCNE1CCNA2
SCHEMBL14418649 0.86 GSK3B (0.53) GSK3BCHEK1SMN1; SMN2CDK2CCNE1
SCHEMBL12953935 0.85 GSK3B (0.52) 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 58/4885GFER 4282/4885

“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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