SCHEMBL383986

SCHEMBL383986

CCC1c2nncn2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.82
BRD4 O60885 14/20 0.82
BRDT Q58F21 2/20 0.77
DAPK3 O43293 2/20 0.77
PRKD3 O94806 2/20 0.77
CHEK2 O96017 2/20 0.77
EGFR P00533 2/20 0.77
FES P07332 2/20 0.77
PHKG2 P15735 2/20 0.77
CSNK1D P48730 2/20 0.77
CLK2 P49760 2/20 0.77
NEK2 P51955 2/20 0.77
PTK2 Q05397 2/20 0.77
CAMK2B Q13554 2/20 0.77
CAMK2G Q13555 2/20 0.77
CAMK2D Q13557 2/20 0.77
PTK2B Q14289 2/20 0.77
MINK1 Q8N4C8 2/20 0.77
PRKD2 Q9BZL6 2/20 0.77
SLK Q9H2G2 2/20 0.77

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
SCHEMBL383985 1.00 PLK1 (0.82) PLK1BRD4BRDTDAPK3PRKD3
SCHEMBL1066172 0.96 PLK1 (0.75) PLK1BRD4BRDTDAPK3PRKD3
SCHEMBL1066176 0.96 PLK1 (0.75) PLK1BRD4BRDTDAPK3PRKD3
SCHEMBL1064354 0.95 PLK1 (0.74) PLK1BRD4BRDTDAPK3PRKD3
SCHEMBL1064351 0.95 PLK1 (0.74) PLK1BRD4BRDTDAPK3PRKD3
SCHEMBL10313450 0.92 PLK1 (0.69) PLK1BRD4BRDTDAPK3PRKD3
SCHEMBL384074 0.90 PLK1 (0.67) PLK1BRD4BRDTDAPK3PRKD3
SCHEMBL1064778 0.90 PLK1 (0.67) PLK1BRD4BRDTDAPK3PRKD3
SCHEMBL28602063 0.90 PLK1 (1.00) PLK1BRD4BRDT
SCHEMBL383778 0.90 BRD4 (0.74) PLK1BRD4BRDTDAPK3PRKD3

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 11 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
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
US-20120178926-A1 METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US 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
WO-2011038185-A2 METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 WO 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 (5 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 PLK1 159/4885BRD4 1254/4885BRDT 1924/4885
US-20090062292-A1 Tetrahydropteridines useful as inhibitors of protein kinases PRKCH, DMPK, MAP3K20 PLK1 159/4885BRD4 1254/4885BRDT 1924/4885
US-20140187774-A1 METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS CDK20, CDK10, MAPK1 PLK1 92/4885BRD4 2844/4885BRDT 1885/4885
US-20120178926-A1 METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS CDK20, CDK10, MAPK1 PLK1 92/4885BRD4 2844/4885BRDT 1885/4885
US-20110021519-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES PRKCH, DMPK, MAP3K20 PLK1 159/4885BRD4 1254/4885BRDT 1924/4885

“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.