SCHEMBL1203985

SCHEMBL1203985

COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(c1ccccc1)C(C)CC(=O)N2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
PLK1 P53350 3/20 0.49
PLK3 Q9H4B4 1/20 0.49
PLK2 Q9NYY3 1/20 0.49
LRRK2 Q5S007 4/20 0.48
TNK2 Q07912 7/20 0.46
IGF1R P08069 3/20 0.46
MAPK7 Q13164 3/20 0.46
BRD4 O60885 2/20 0.46
DCLK1 O15075 1/20 0.45
NUAK1 O60285 1/20 0.45

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
SCHEMBL1202819 0.89 PLK1 (0.63) PLK1PLK3PLK2LRRK2MAPK7
SCHEMBL1204311 0.86 GSK3B (0.71) GSK3AGSK3BPLK1TNK2
SCHEMBL1202852 0.84 PLK1 (0.64) PLK1PLK3PLK2MAPK7BRD4
SCHEMBL1203596 0.84 GSK3A (0.58) GSK3AGSK3BPLK1PLK3PLK2
SCHEMBL1203981 0.84 PLK1 (0.63) PLK1PLK3PLK2MAPK7BRD4
SCHEMBL4079437 0.77 LRRK2 (0.55) GSK3AGSK3BPLK1LRRK2MAPK7
SCHEMBL1203373 0.77 PLK1 (0.59) PLK1PLK3PLK2BRD4
SCHEMBL1203592 0.76 RAD52 (0.59) PLK1PLK3PLK2BRD4
SCHEMBL3667130 0.76 GSK3A (0.52) GSK3AGSK3BPLK1PLK3PLK2
SCHEMBL4080993 0.76 LRRK2 (0.59) LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2610256-A1 Pyrimidine derivatives as protein kinase inhibitors Cyclacel Limited (GB) 2013-07-03 EP claimed
US-9493471-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2016-11-15 US disclosed
EP-2610256-B1 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LTD (GB) 2016-04-27 EP 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-20140066436-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS TETHRA BIOSCIENCES INC. 2014-03-06 US disclosed
EP-2205603-B1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LTD (GB) 2014-01-15 EP disclosed
US-8563542-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2013-10-22 US disclosed
EP-2610256-A1 Pyrimidine derivatives as protein kinase inhibitors Cyclacel Limited (GB) 2013-07-03 EP 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 GSK3A 720/4885GSK3B 713/4885PLK1 355/4885
US-20140066436-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CDK7, CDK9, CDK8 GSK3A 771/4885GSK3B 740/4885PLK1 349/4885
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS DCK, DTYMK, TK1 GSK3A 509/4885GSK3B 485/4885PLK1 23/4885

“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.