SCHEMBL383801

SCHEMBL383801

CCC1c2nncn2-c2cnc(Cl)nc2N1C1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.60
PLK1 P53350 18/20 0.40
PLK2 Q9NYY3 15/20 0.40
PLK3 Q9H4B4 12/20 0.38
PIP4K2A P48426 1/20 0.34
PIP4K2B P78356 1/20 0.34

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
SCHEMBL383800 1.00 BRD4 (0.60) BRD4PLK1PLK2PLK3PIP4K2A
SCHEMBL1288479 0.98 BRD4 (0.58) BRD4PLK1PLK2PLK3
SCHEMBL1288485 0.98 BRD4 (0.58) BRD4PLK1PLK2PLK3
SCHEMBL1288648 0.95 BRD4 (0.55) BRD4PLK1PLK2PLK3
SCHEMBL1288651 0.95 BRD4 (0.55) BRD4PLK1PLK2PLK3
SCHEMBL1288295 0.90 BRD4 (0.51) BRD4PLK1PLK2PLK3
SCHEMBL1288293 0.90 BRD4 (0.51) BRD4PLK1PLK2PLK3
SCHEMBL10286672 0.87 BRD4 (0.47) BRD4PLK1
SCHEMBL1288418 0.87 BRD4 (0.47) BRD4PLK1PLK2
SCHEMBL1288421 0.87 BRD4 (0.47) BRD4PLK1PLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187774-A1 METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-07-03 US disclosed
US-8637666-B2 Methods for preparing pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 US disclosed
EP-2661268-A2 INHIBITORS OF POLO-LIKE KINASE Elan Pharmaceuticals Inc. (US) 2013-11-13 EP disclosed
US-8524902-B2 [1,2,4]triazolo[4,3-f]pteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-20120277425-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-01 US disclosed
EP-2480553-A2 METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2012-08-01 EP disclosed
US-20120178926-A1 METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
WO-2012048129-A2 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2012-04-12 WO disclosed
WO-2012048129-A2 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2012-04-12 WO disclosed
EP-2010542-B1 4,5-DIHYDRO-[1,2,4]TRIAZOLO[4,3-F]PTERIDINES AS PLK1 PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2012-01-25 EP disclosed
US-8067417-B2 Imidazo[1,2-F]pteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-29 US disclosed
US-20110021519-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-27 US disclosed
US-7763629-B2 Tetrahydropteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-27 US disclosed
US-20090062292-A1 Tetrahydropteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-03-05 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 (6 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-20120277425-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES PRKCH, DMPK, MAP3K20 BRD4 1254/4885PLK1 159/4885PLK2 260/4885
US-20090062292-A1 Tetrahydropteridines useful as inhibitors of protein kinases PRKCH, DMPK, MAP3K20 BRD4 1254/4885PLK1 159/4885PLK2 260/4885
US-20120115848-A1 Inhibitors of Polo-Like Kinase PLK1, POLR2E, POLR2H BRD4 1149/4885PLK1 1/4885PLK2 19/4885
US-20140187774-A1 METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS CDK20, CDK10, MAPK1 BRD4 2844/4885PLK1 92/4885PLK2 99/4885
US-20120178926-A1 METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS CDK20, CDK10, MAPK1 BRD4 2844/4885PLK1 92/4885PLK2 99/4885
US-20110021519-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES PRKCH, DMPK, MAP3K20 BRD4 1254/4885PLK1 159/4885PLK2 260/4885

“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.