SCHEMBL1203963

SCHEMBL1203963

CC1CC(=O)Nc2cnc(Nc3ccc(C(=O)O)cc3)nc2N1C1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.57
GSK3A P49840 1/20 0.57
PLK1 P53350 6/20 0.46
MAPK7 Q13164 1/20 0.46
DYRK1A Q13627 1/20 0.46
BRD4 O60885 4/20 0.46
TAF1 P21675 2/20 0.46
MARK3 P27448 2/20 0.45
MARK4 Q96L34 1/20 0.45
PLK3 Q9H4B4 1/20 0.45
PLK2 Q9NYY3 1/20 0.45
LCK P06239 2/20 0.43
JAK3 P52333 2/20 0.43
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
AURKA O14965 1/20 0.41
CDK2 P24941 2/20 0.40
CCNE1 P24864 1/20 0.40

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
SCHEMBL1202703 0.99 GSK3B (0.58) GSK3BGSK3APLK1MAPK7DYRK1A
SCHEMBL17305542 0.89 GSK3A (0.44) GSK3BGSK3APLK1MAPK7DYRK1A
SCHEMBL1203981 0.86 PLK1 (0.63) PLK1MAPK7BRD4TAF1PLK3
SCHEMBL1204067 0.85 BRD4 (0.66) PLK1MAPK7BRD4TAF1PLK3
SCHEMBL1202852 0.85 PLK1 (0.64) PLK1MAPK7BRD4TAF1PLK3
SCHEMBL1204311 0.82 GSK3B (0.71) GSK3BGSK3APLK1MARK3MARK4
SCHEMBL15498579 0.81 GSK3B (0.59) GSK3BGSK3APLK1MAPK7DYRK1A
SCHEMBL1203965 0.81 PLK1 (0.59) PLK1MAPK7DYRK1ABRD4TAF1
SCHEMBL1560501 0.75 PLK1 (0.53) GSK3BGSK3APLK1MAPK7DYRK1A
SCHEMBL1202816 0.75 PLK1 (0.77) PLK1MAPK7BRD4TAF1PLK3

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 9 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
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 GSK3B 713/4885GSK3A 720/4885PLK1 355/4885
US-20140066436-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CDK7, CDK9, CDK8 GSK3B 740/4885GSK3A 771/4885PLK1 349/4885
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS DCK, DTYMK, TK1 GSK3B 485/4885GSK3A 509/4885PLK1 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.