SCHEMBL11931462

SCHEMBL11931462

Cn1cc(-c2cnn3c(N)cc(CC4CCCN(C(=O)OC(C)(C)C)C4)nc23)cn1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IRAK1 P51617 2/20 0.52
▸ PIK3CD O00329 4/20 0.44
▸ CHEK1 O14757 5/20 0.43
▸ CCNA2 P20248 4/20 0.43
▸ CDK2 P24941 4/20 0.43
▸ CCNA1 P78396 4/20 0.43
▸ BACE1 P56817 2/20 0.41
▸ CTSD P07339 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.40
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CHEK2 O96017 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
SCHEMBL11931460 0.95 PIK3CD (0.49) IRAK1PIK3CDCHEK1CCNA2CDK2
SCHEMBL11931456 0.92 IRAK1 (0.43) IRAK1PIK3CDCHEK1CCNA2CDK2
SCHEMBL11931458 0.90 GPR119 (0.45) IRAK1PIK3CDCHEK1CCNA2CDK2
SCHEMBL11931485 0.86 IRAK1 (0.41) IRAK1PIK3CDCHEK1CCNA2CDK2
SCHEMBL11931540 0.85 CHEK1 (0.58) IRAK1CHEK1CCNA2CDK2CCNA1
SCHEMBL11931271 0.85 CHEK1 (0.58) IRAK1CHEK1CCNA2CDK2CCNA1
SCHEMBL11931454 0.85 IRAK1 (0.40) IRAK1PIK3CDCHEK1CCNA2CDK2
SCHEMBL11931518 0.85 CHEK1 (0.61) IRAK1PIK3CDCHEK1CCNA2CDK2
SCHEMBL11931459 0.83 CHEK1 (0.43) IRAK1CHEK1CCNA2CDK2CCNA1
SCHEMBL14050946 0.82 CHEK1 (0.57) IRAK1CHEK1CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069349-B1 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-06-15 — — EP disclosed
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-7605155-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-10-20 — — US disclosed
US-7605155-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-10-20 — — US disclosed
US-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 — — US disclosed
US-20070072881-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 IRAK1 438/4885PIK3CD 358/4885CHEK1 8/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 IRAK1 438/4885PIK3CD 358/4885CHEK1 8/4885
US-20070072881-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A IRAK1 665/4885PIK3CD 197/4885CHEK1 60/4885

“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.

Send feedback