SCHEMBL12953868

SCHEMBL12953868

OC[C@@H]1CCCC[C@@H]1Nc1cc(NCc2ccccn2)n2ncc(Br)c2n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GSK3B P49841 9/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ CDK2 P24941 6/20 0.41
▸ CCNE1 P24864 3/20 0.41
▸ CDK7 P50613 2/20 0.41
▸ CCNH P51946 1/20 0.41
▸ MNAT1 P51948 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
SCHEMBL12954352 0.91 GSK3B (0.40) KDM4EMAPTNPC1RAB9AKMT2A
SCHEMBL14412430 0.85 CDK2 (0.53) GSK3BCDK2CCNE1CDK7CCNH
SCHEMBL12954035 0.85 GSK3B (0.41) GSK3BCDK2CCNE1CDK7CCNH
SCHEMBL11930871 0.84 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL12952925 0.84 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL11930863 0.84 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL12953634 0.82 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL11930864 0.82 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL11930886 0.82 GSK3B (0.41) GSK3BCDK2CCNE1CDK7CCNH
SCHEMBL11930868 0.82 GSK3B (0.44) GSK3BCDK2CCNE1CDK7CCNH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673924-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-18 — — US disclosed
US-8673924-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-18 — — US disclosed
US-8586576-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-19 — — US disclosed
US-8580782-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-12 — — US disclosed
US-8580782-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-12 — — US disclosed
EP-1720882-B1 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2011-01-05 — — EP disclosed
WO-2008130570-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 — — WO disclosed
WO-2008130569-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 — — WO disclosed
US-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SHERING CORPORATION AND PHARMACOPEIA, INC. 2008-02-28 — — US disclosed
US-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SHERING CORPORATION AND PHARMACOPEIA, INC. 2008-02-28 — — US disclosed
US-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 — — US disclosed
US-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 — — US disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 — — US disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 — — US disclosed
US-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 — — US disclosed
US-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 — — 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-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 KDM4E 549/4885MAPT 3326/4885NPC1 4113/4885
US-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A KDM4E 731/4885MAPT 3106/4885NPC1 3835/4885
US-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A KDM4E 731/4885MAPT 3106/4885NPC1 3835/4885

“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