SCHEMBL1203451

SCHEMBL1203451

O=C1CCN(c2ccccc2)c2nc(Nc3ccc(O)cc3)ncc2N1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.67
GSK3A P49840 1/20 0.67
KDR P35968 7/20 0.50
PLK1 P53350 4/20 0.47
TNK2 Q07912 5/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
MARK3 P27448 1/20 0.43
RPS6KA3 P51812 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NR4A1 P22736 1/20 0.40
MAPK1 P28482 1/20 0.40
RAD52 P43351 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
SCHEMBL5805486 0.80 GSK3B (1.00) GSK3BGSK3APLK1TNK2MARK3
SCHEMBL3542169 0.79 GSK3A (0.58) GSK3BGSK3APLK1
SCHEMBL1203446 0.78 GSK3A (0.45) GSK3BGSK3AKDRPLK1TNK2
SCHEMBL1203304 0.76 CRBN (0.52) GSK3BGSK3ADDB1CRBNMEN1
SCHEMBL1203596 0.75 GSK3A (0.58) GSK3BGSK3APLK1TNK2RAD52
SCHEMBL3667130 0.74 GSK3A (0.52) GSK3BGSK3APLK1TNK2RAD52
SCHEMBL5805979 0.73 GSK3A (0.56) GSK3BGSK3ARPS6KA3
SCHEMBL616764 0.72 TNK2 (0.67) TNK2
SCHEMBL4079437 0.72 LRRK2 (0.55) GSK3BGSK3APLK1
SCHEMBL3668298 0.70 PLK1 (0.54) GSK3BGSK3APLK1DDB1CRBN

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
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2015-12-03 US claimed
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
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 720/4885KDR 797/4885
US-20140066436-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CDK7, CDK9, CDK8 GSK3B 740/4885GSK3A 771/4885KDR 731/4885
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS DCK, DTYMK, TK1 GSK3B 485/4885GSK3A 509/4885KDR 1188/4885

“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.