SCHEMBL11931064

SCHEMBL11931064

CN(C)CCNS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.55
▸ CDK2 P24941 10/20 0.48
▸ CDK1 P06493 3/20 0.48
▸ CDK4 P11802 2/20 0.48
▸ PHGDH O43175 1/20 0.45
▸ CCNE1 P24864 2/20 0.44
▸ CHEK1 O14757 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CCNA1 P78396 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ IKBKB O14920 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CCNB2 O95067 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ CCNB3 Q8WWL7 1/20 0.41
▸ TSHR P16473 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL11931067 0.96 GSK3B (0.53) GSK3BCDK2CDK1CDK4PHGDH
SCHEMBL13308741 0.91 GSK3B (0.57) GSK3BCDK2CCNE1CHEK1CCNA2
SCHEMBL13309125 0.90 GSK3B (0.48) GSK3BCDK2CDK1CDK4PHGDH
SCHEMBL13309248 0.89 GSK3B (0.54) GSK3BCDK2CCNE1CHEK1CCNA2
SCHEMBL13308745 0.89 GSK3B (0.54) GSK3BCDK2CCNE1CHEK1CCNA2
SCHEMBL11931060 0.89 GSK3B (0.58) GSK3BCDK2CCNE1CHEK1CCNA2
SCHEMBL11931063 0.89 GSK3B (0.54) GSK3BCDK2CDK1CDK4PHGDH
SCHEMBL13116791 0.88 CDK2 (0.63) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL13885081 0.88 GSK3B (0.53) GSK3BCDK2CCNE1CHEK1CCNA2
SCHEMBL13885115 0.88 GSK3B (0.53) GSK3BCDK2CCNE1CHEK1CCNA2

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
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
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-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
WO-2007044420-A1 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS FOR THE TREATMENT OF CANCER 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 GSK3B 334/4885CDK2 64/4885CDK1 38/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 GSK3B 334/4885CDK2 64/4885CDK1 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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