SCHEMBL4734845

SCHEMBL4734845

COc1ccc(F)cc1-c1ccnc(Nc2ccccc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 15/20 0.63
CCNT1 O60563 14/20 0.63
AURKA O14965 2/20 0.58
MAP4K4 O95819 1/20 0.58
ABL1 P00519 1/20 0.58
LCK P06239 1/20 0.58
MET P08581 1/20 0.58
PDGFRB P09619 1/20 0.58
FGFR1 P11362 1/20 0.58
FLT1 P17948 1/20 0.58
KDR P35968 1/20 0.58
FLT3 P36888 1/20 0.58
MAPK8 P45983 1/20 0.58
MAPK9 P45984 1/20 0.58
GSK3A P49840 1/20 0.58
GSK3B P49841 1/20 0.58
CDK5 Q00535 1/20 0.58
ACVR1 Q04771 1/20 0.58
MST1R Q04912 1/20 0.58
TYRO3 Q06418 1/20 0.58

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
SCHEMBL1032946 0.85 PIK3CA (0.60) CDK9CCNT1AURKAMAP4K4ABL1
SCHEMBL14088787 0.79 JAK2 (0.59) AURKAABL1LCKFLT3CDK5
SCHEMBL3625797 0.76 CDK9 (0.44) CDK9CCNT1USP2CYP1A2CYP3A4
SCHEMBL12764230 0.76 PRKCA (0.56) CDK9AURKAMAP4K4ABL1LCK
SCHEMBL8253883 0.76 ZAP70 (0.68) CDK9AURKAABL1LCKFLT3
SCHEMBL14253944 0.76 IKBKB (0.61) AURKAABL1LCKFLT3MAPK8
SCHEMBL1031173 0.75 AGER (0.54) CDK9CCNT1MAP4K4FLT1KDR
SCHEMBL16564597 0.75 CDK9 (0.63) CDK9CCNT1AURKAMAP4K4ABL1
SCHEMBL28497653 0.75 MAP3K14 (0.52) CDK9CCNT1GSK3BCDK5CCNA2
SCHEMBL30507316 0.75 MAP3K14 (0.52) CDK9CCNT1GSK3BCDK5CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153822-A1 Methods of treating pain INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-26 US claimed
WO-2008065155-A1 CDK INHIBITORS FOR TREATING PAIN INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-05 WO claimed
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 US claimed
JP-2007500179-A 2007-01-11 JP claimed
EP-1648875-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS Cyclacel Limited (GB) 2006-04-26 EP claimed
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 WO claimed
US-20080153822-A1 Methods of treating pain INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-26 US disclosed
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 US disclosed
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 US disclosed
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 US disclosed
EP-1648875-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS Cyclacel Limited (GB) 2006-04-26 EP disclosed
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 WO disclosed
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 WO 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 (2 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-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors GRK3, NCOR1, GRM3 CDK9 429/4885CCNT1 1310/4885AURKA 2122/4885
US-20080153822-A1 Methods of treating pain OPRL1, ACHE, OPRK1 CDK9 4493/4885CCNT1 4143/4885AURKA 4435/4885

“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.