SCHEMBL14413470

SCHEMBL14413470

CB(O)N1CCOC(c2cc(Cl)n3ncc(Br)c3n2)C1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.33
▸ CHEK1 O14757 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CCNA1 P78396 1/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.31

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
SCHEMBL14413493 0.86 CHEK1 (0.32) CHEK1CCNA2CDK2CCNA1
SCHEMBL14413457 0.81 PDE10A (0.42) CCNA2CDK2CCNA1PDE2A
SCHEMBL14413483 0.79 CHEK1 (0.33) GSK3BCHEK1CCNA2CDK2CCNA1
SCHEMBL14050789 0.77 MALT1 (0.42) PDE2A
SCHEMBL17690951 0.73 CHEK1 (0.48) GSK3BCHEK1CCNA2CDK2CCNA1
SCHEMBL14413582 0.71 CHEK1 (0.50) CHEK1CCNA2CDK2CCNA1
SCHEMBL14413446 0.70 DRD3 (0.32) PDE2A
SCHEMBL14413523 0.69 CHEK1 (0.39) CHEK1CCNA2CDK2CCNA1
SCHEMBL14545936 0.69 LRRK2 (0.36) GSK3BCHEK1CCNA2CDK2CCNA1
SCHEMBL12953608 0.69 GSK3B (0.45) GSK3BCHEK1CCNA2CDK2CCNA1

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
US-8586576-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-19 — — US disclosed
US-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 — — US disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 — — 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 58/4885CCNA2 29/4885

“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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