SCHEMBL11931070

SCHEMBL11931070

CS(=O)(=O)c1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3CO)nc3c(Br)cnn23)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 18/20 0.54
▸ GSK3B P49841 13/20 0.54
▸ CDK1 P06493 1/20 0.45
▸ MAPKAPK2 P49137 1/20 0.42
▸ PIK3CA P42336 1/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ CCNE1 P24864 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ CHEK1 O14757 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
SCHEMBL13885181 1.00 CDK2 (0.54) CDK2GSK3BCDK1MAPKAPK2PIK3CA
SCHEMBL13885696 0.91 CDK2 (0.52) CDK2GSK3BCDK1MAPKAPK2CCNE1
SCHEMBL13885698 0.91 CDK2 (0.52) CDK2GSK3BCDK1MAPKAPK2CCNE1
SCHEMBL14528760 0.90 CDK2 (0.46) CDK2GSK3BCDK1PIK3CAPRKDC
SCHEMBL14528910 0.87 CDK2 (0.47) CDK2GSK3BMAPKAPK2
SCHEMBL13885152 0.85 CDK2 (0.67) CDK2GSK3BCDK1MAPKAPK2CCNE1
SCHEMBL13998539 0.81 GSK3B (0.46) CDK2GSK3BMAPKAPK2CCNE1
SCHEMBL13998510 0.81 GSK3B (0.46) CDK2GSK3BMAPKAPK2CCNE1
SCHEMBL11930886 0.80 GSK3B (0.41) CDK2GSK3BMAPKAPK2CCNE1CHEK1
SCHEMBL14427515 0.79 CDK2 (0.82) CDK2GSK3BCDK1MAPKAPK2CCNE1

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 13 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-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-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION 2010-05-20 — — US disclosed
US-7514442-B2 Trisubstituted 4-aminopyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-04-07 — — US disclosed
EP-1534712-B1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2007-05-16 — — EP disclosed
WO-2007044420-A1 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2007-04-19 — — WO 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
US-7205308-B2 Trisubstituted 7-aminopyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-04-17 — — US disclosed
US-7205308-B2 Trisubstituted 7-aminopyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-04-17 — — US disclosed
US-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 — — US disclosed
US-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 — — 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 (2 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-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 CDK2 64/4885GSK3B 334/4885CDK1 38/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 CDK2 64/4885GSK3B 334/4885CDK1 38/4885

“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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