SCHEMBL11931558

SCHEMBL11931558

Cn1cc(-c2cnn3c(Nc4ccc5c(c4)OCO5)cc(C4CCCN(C(=O)OC(C)(C)C)C4)nc23)cn1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 16/20 0.66
▸ IRAK1 P51617 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ POLB P06746 1/20 0.42
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CCNA1 P78396 1/20 0.41

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
SCHEMBL11931582 0.88 CHEK1 (0.56) CHEK1IRAK1CCNA2CDK2CCNA1
SCHEMBL11931557 0.88 CHEK1 (0.63) CHEK1IRAK1CCNA2CDK2CCNA1
SCHEMBL16784428 0.86 CHEK1 (0.76) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931561 0.86 CHEK1 (0.54) CHEK1IRAK1CCNA2CDK2CCNA1
SCHEMBL11931581 0.85 CHEK1 (0.54) CHEK1IRAK1CCNA2CDK2CCNA1
SCHEMBL11931559 0.85 CHEK1 (0.67) CHEK1IRAK1CCNA2CDK2CCNA1
SCHEMBL16784488 0.85 CHEK1 (0.53) CHEK1IRAK1CCNA2CDK2CCNA1
SCHEMBL11931560 0.84 CHEK1 (0.53) CHEK1IRAK1CCNA2CDK2CCNA1
SCHEMBL11931563 0.84 CHEK1 (0.51) CHEK1IRAK1CCNA2CDK2CCNA1
SCHEMBL11931564 0.84 CHEK1 (0.49) CHEK1IRAK1CCNA2CDK2CCNA1

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-2069350-B1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-02-17 — — 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-7601724-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-10-13 — — US disclosed
US-7601724-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-10-13 — — US disclosed
WO-2008045268-A2 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-04-17 — — 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-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
US-20070072880-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-29 — — US disclosed
US-20070072880-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-29 — — 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 (3 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 CHEK1 8/4885IRAK1 438/4885MAPT 2170/4885
US-20070072880-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CHEK1 60/4885IRAK1 665/4885MAPT 2958/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 CHEK1 8/4885IRAK1 438/4885MAPT 2170/4885

“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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