SCHEMBL13288974

SCHEMBL13288974

Bc1cnn2c(NCc3cccc(CNS(=O)(=O)c4ccccc4Cl)c3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 8/20 0.52
▸ GSK3B P49841 9/20 0.52
▸ CCNA2 P20248 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ NPY5R Q15761 1/20 0.39
▸ LMNA P02545 1/20 0.36
▸ SLC12A2 P55011 1/20 0.36
▸ SLC12A5 Q9H2X9 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL13289440 0.93 CDK2 (0.51) CDK2GSK3BCCNA2CCNA1NPY5R
SCHEMBL13289430 0.93 GSK3B (0.49) CDK2GSK3BCCNA2CCNA1NPY5R
SCHEMBL12954278 0.91 CDK2 (0.52) CDK2GSK3BCCNA2CCNA1ALDH1A1
SCHEMBL13289239 0.90 GSK3B (0.51) CDK2GSK3BCCNA2CCNA1MEN1
SCHEMBL13120640 0.90 CDK2 (0.67) CDK2GSK3BCCNA2CCNA1
SCHEMBL13289375 0.90 CDK2 (0.54) CDK2GSK3BCCNA2CCNA1MEN1
SCHEMBL13288963 0.89 CDK2 (0.46) CDK2GSK3BCCNA2CCNA1NPY5R
SCHEMBL13289429 0.88 CDK2 (0.49) CDK2GSK3BCCNA2CCNA1RAB9A
SCHEMBL13289431 0.88 CDK2 (0.49) CDK2GSK3BCCNA2CCNA1MEN1
SCHEMBL13288973 0.87 CDK2 (0.48) CDK2GSK3BCCNA2CCNA1ALDH1A1

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
EP-2194058-A1 Pyrazolopyrimidines suitable for the treatment of cancer diseases SCHERING CORPORATION (US) 2010-06-09 — — EP disclosed
US-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SHERING CORPORATION AND PHARMACOPEIA, INC. 2008-02-28 — — US disclosed
WO-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO 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-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CDK2 1/4885GSK3B 695/4885CCNA2 31/4885

“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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