SCHEMBL12880331

SCHEMBL12880331

COc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC1(CC1)C(=O)N2C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 15/20 0.70
BRD4 O60885 6/20 0.70
BRDT Q58F21 6/20 0.70
RAD52 P43351 2/20 0.63
PLK3 Q9H4B4 2/20 0.60
ALK Q9UM73 2/20 0.58
PIK3CD O00329 1/20 0.58
PDXK O00764 1/20 0.58
CIT O14578 1/20 0.58
RIOK3 O14730 1/20 0.58
GAK O14976 1/20 0.58
DCLK1 O15075 1/20 0.58
DAPK3 O43293 1/20 0.58
RPS6KA5 O75582 1/20 0.58
RPS6KA4 O75676 1/20 0.58
STK16 O75716 1/20 0.58
STK10 O94804 1/20 0.58
PRKD3 O94806 1/20 0.58
CHEK2 O96017 1/20 0.58
ABL1 P00519 1/20 0.58

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
SCHEMBL12880261 0.98 PLK1 (0.69) PLK1BRD4BRDTRAD52PLK3
SCHEMBL12880468 0.96 PLK1 (0.66) PLK1BRD4BRDTRAD52PLK3
SCHEMBL1203997 0.95 PLK1 (0.64) PLK1BRD4BRDTRAD52PLK3
SCHEMBL1203749 0.95 PLK1 (0.64) PLK1BRD4BRDTRAD52PLK3
SCHEMBL12879993 0.95 PLK1 (0.64) PLK1BRD4BRDTRAD52PLK3
SCHEMBL1202993 0.93 PLK1 (0.70) PLK1BRD4BRDTRAD52PLK3
SCHEMBL1203226 0.93 PLK1 (0.62) PLK1BRD4BRDTRAD52PLK3
SCHEMBL2300983 0.93 PLK1 (0.82) PLK1BRD4BRDTRAD52PLK3
SCHEMBL3547869 0.92 PLK1 (0.74) PLK1BRD4BRDTRAD52PLK3
SCHEMBL3541399 0.91 PLK1 (0.74) PLK1BRD4BRDTRAD52PLK3

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-9493471-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2016-11-15 US disclosed
US-9493471-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2016-11-15 US disclosed
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2015-12-03 US disclosed
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2015-12-03 US disclosed
US-9133199-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2015-09-15 US disclosed
US-9133199-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2015-09-15 US disclosed
US-20140066436-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS TETHRA BIOSCIENCES INC. 2014-03-06 US disclosed
US-20140066436-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS TETHRA BIOSCIENCES INC. 2014-03-06 US disclosed
US-8563542-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2013-10-22 US disclosed
US-8563542-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2013-10-22 US disclosed
US-20110046093-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2011-02-24 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-20110046093-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CDK7, CDK9, CDK8 PLK1 355/4885BRD4 589/4885BRDT 676/4885
US-20140066436-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CDK7, CDK9, CDK8 PLK1 349/4885BRD4 669/4885BRDT 741/4885
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS DCK, DTYMK, TK1 PLK1 23/4885BRD4 1149/4885BRDT 1090/4885

“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.