SCHEMBL12880080

SCHEMBL12880080

CC(C)C1CC(=O)N(C)c2cnc(Nc3ccc4c(c3)CS(=O)(=O)C4)nc2N1C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 14/20 0.48
▸ BRD4 O60885 8/20 0.48
▸ TAF1 P21675 4/20 0.48
▸ MAPK7 Q13164 2/20 0.46
▸ PLK3 Q9H4B4 8/20 0.45
▸ PLK2 Q9NYY3 8/20 0.45
▸ DYRK1A Q13627 1/20 0.44
▸ PIP4K2A P48426 1/20 0.42
▸ PIP4K2B P78356 1/20 0.42
▸ BRDT Q58F21 1/20 0.41

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
SCHEMBL1202610 0.84 PLK1 (0.53) PLK1BRD4TAF1MAPK7PLK3
SCHEMBL12880051 0.81 PLK1 (0.57) PLK1BRD4TAF1PLK3BRDT
SCHEMBL12880076 0.77 PLK1 (0.52) PLK1BRD4TAF1MAPK7PLK3
SCHEMBL12880078 0.77 PLK1 (0.56) PLK1BRD4TAF1MAPK7BRDT
SCHEMBL12880145 0.77 TNK2 (0.44) PLK1
SCHEMBL12880079 0.76 PLK1 (0.55) PLK1BRD4TAF1MAPK7BRDT
SCHEMBL12880073 0.76 PLK1 (0.56) PLK1BRD4TAF1MAPK7PLK3
SCHEMBL12880150 0.75 PLK1 (0.55) PLK1BRD4TAF1BRDT
SCHEMBL12880146 0.75 PLK1 (0.55) PLK1BRD4TAF1BRDT
SCHEMBL12880085 0.74 PLK1 (0.49) PLK1BRD4PLK3

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 589/4885TAF1 985/4885
US-20140066436-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CDK7, CDK9, CDK8 PLK1 349/4885BRD4 669/4885TAF1 1075/4885
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS DCK, DTYMK, TK1 PLK1 23/4885BRD4 1149/4885TAF1 1396/4885

“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.

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