SCHEMBL12880560

SCHEMBL12880560

COc1cc(C(=O)N[C@H]2CC[C@@H](N3CCCC3)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC1(CC1)C(=O)N2C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.73
BRD4 O60885 6/20 0.73
BRDT Q58F21 6/20 0.73
RAD52 P43351 1/20 0.65
PLK3 Q9H4B4 3/20 0.60
PLK2 Q9NYY3 1/20 0.60
PRKD3 O94806 1/20 0.59
MAP4K4 O95819 1/20 0.59
PRKCG P05129 1/20 0.59
CLK2 P49760 1/20 0.59
RPS6KA3 P51812 1/20 0.59
NEK4 P51957 1/20 0.59
PTK2 Q05397 1/20 0.59
CAMK2G Q13555 1/20 0.59
CAMK2D Q13557 1/20 0.59
SRPK1 Q96SB4 1/20 0.59
PRKD2 Q9BZL6 1/20 0.59
CSNK1G1 Q9HCP0 1/20 0.59
CSNK1G3 Q9Y6M4 1/20 0.59
ALK Q9UM73 1/20 0.59

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
SCHEMBL12880559 1.00 PLK1 (0.73) PLK1BRD4BRDTRAD52PLK3
Plogosertib SCHEMBL12879990 0.96 PLK1 (0.75) PLK1BRD4BRDTRAD52PLK3
Plogosertib SCHEMBL1202855 0.96 PLK1 (0.75) PLK1BRD4BRDTRAD52PLK3
Plogosertib SCHEMBL29919216 0.96 PLK1 (0.75) PLK1BRD4BRDTRAD52PLK3
Plogosertib SCHEMBL1202614 0.96 PLK1 (0.75) PLK1BRD4BRDTRAD52PLK3
SCHEMBL2399362 0.95 PLK1 (0.77) PLK1BRD4BRDTRAD52PLK3
SCHEMBL1202907 0.95 PLK1 (0.69) PLK1BRD4BRDTRAD52PLK3
SCHEMBL12880001 0.95 PLK1 (0.69) PLK1BRD4BRDTRAD52PLK3
SCHEMBL1202740 0.95 PLK1 (0.69) PLK1BRD4BRDTRAD52PLK3
SCHEMBL2397141 0.94 PLK1 (0.78) 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 12 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
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.