SCHEMBL11931128

SCHEMBL11931128

O=S(=O)(Nc1ccncc1)Nc1cc(-c2ccccc2F)nc2c(Br)cnn12

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 10/20 0.64
▸ GSK3B P49841 10/20 0.64
▸ CCNA2 P20248 1/20 0.53
▸ CCNA1 P78396 1/20 0.53
▸ CCNE1 P24864 2/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TGFBR1 P36897 1/20 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
SCHEMBL13998502 0.85 GSK3B (0.87) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL14543183 0.84 GSK3B (0.67) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL11931121 0.82 CDK2 (0.64) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL11937330 0.82 CDK2 (0.67) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13998461 0.78 GSK3B (0.82) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL12953328 0.78 CDK2 (1.00) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13305408 0.78 GSK3B (0.74) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13308740 0.77 GSK3B (0.76) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13885032 0.77 GSK3B (0.79) CDK2GSK3BCCNA2CCNA1TGFBR1
SCHEMBL13146280 0.75 GSK3B (0.72) CDK2GSK3BCCNA2CCNA1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1942900-B1 USE OF PYRAZOLO [1,5-A] PYRIMIDINE DERIVATIVES FOR INHIBITING KINASES METHODS FOR INHIBITING PROTEIN KINASES MERCK SHARP & DOHME (US) 2015-06-03 — — EP disclosed
US-8211854-B2 Methods for inhibiting protein kinases SCHERING CORPORATION (US) 2012-07-03 — — US disclosed
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION 2010-05-20 — — US disclosed
US-7468372-B2 Trisubstituted 4-aminopyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2008-12-23 — — US disclosed
WO-2007044441-A2 USE OF PYRAZOLO [1 , 5 -A] PYRIMIDINE DERIVATIVES FOR INHIBITING PROTEIN KINASES METHODS FOR INHIBITING PROTEIN KINASES 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-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 CDK2 64/4885GSK3B 334/4885CCNA2 1270/4885

“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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