SCHEMBL3241780

SCHEMBL3241780

Nc1ncnc2c1c(=O)ccn2-c1ccc(NC(=O)Nc2cc(C(F)(F)F)cnc2OCCCN2CCOCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.49
KDR P35968 6/20 0.48
RAF1 P04049 3/20 0.48
BRAF P15056 3/20 0.48
FLT3 P36888 3/20 0.43
LCK P06239 1/20 0.43
CSF1R P07333 1/20 0.43
RET P07949 1/20 0.43
PDGFRB P09619 1/20 0.43
KIT P10721 1/20 0.43
PDGFRA P16234 1/20 0.43
CDK11B P21127 1/20 0.43
CCNC P24863 1/20 0.43
FLT4 P35916 1/20 0.43
CDK8 P49336 1/20 0.43
BTK Q06187 1/20 0.43
DDR1 Q08345 1/20 0.43
DDR2 Q16832 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43

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
SCHEMBL3836301 0.90 KDR (0.54) EPHX2KDRRAF1BRAFFLT3
SCHEMBL3240554 0.90 EPHX2 (0.48) EPHX2KDRRAF1BRAFFLT3
SCHEMBL3832628 0.85 EPHX2 (0.53) EPHX2KDRRAF1BRAFRET
SCHEMBL3239039 0.84 RET (0.40) KDRRAF1BRAFFLT3LCK
SCHEMBL3235223 0.83 KCNH2 (0.41) KDRRAF1BRAFFLT3LCK
SCHEMBL3239016 0.82 RET (0.40) KDRRAF1BRAFFLT3LCK
SCHEMBL3837318 0.81 EPHX2 (0.46) EPHX2KDRRAF1BRAFFLT3
SCHEMBL3238527 0.80 RET (0.46) KDRFLT3LCKCSF1RRET
SCHEMBL3836437 0.78 EPHX2 (0.51) EPHX2KDRBRAFFLT3LCK
SCHEMBL3835826 0.76 KDR (0.51) EPHX2KDRFLT3LCKCSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745434-B2 4-Amino-5-oxo-8-phenyl-5H-pyrido(2,3-D) pyrimidine derivatives as tyrosine kinase and raf kinase inhibitors for the treatment of tumours MERCK PATENT GMBH (DE) 2010-06-29 US claimed
EP-1809630-B1 4-AMINO-5-OXO-8-PHENYL-5H-PYRIDO-[2,3-D]-PYRIMIDINE DERIVATIVES AS TYROSINE KINASE AND RAF KINASE INHIBITORS FOR THE TREATMENT OF TUMOURS MERCK PATENT GMBH (DE) 2009-04-15 EP claimed
US-20080146560-A1 4-Amino-5-Oxo-8-Phenyl-5H-Pyrido(2,3-D) Pyrimidine Derivatives as Tyrosine Kinase and Raf Kinase Inhibitors for the Treatment of Tumours MERCK PATENT GMBH (DE) 2008-06-19 US claimed
US-7745434-B2 4-Amino-5-oxo-8-phenyl-5H-pyrido(2,3-D) pyrimidine derivatives as tyrosine kinase and raf kinase inhibitors for the treatment of tumours MERCK PATENT GMBH (DE) 2010-06-29 US disclosed
US-20080146560-A1 4-Amino-5-Oxo-8-Phenyl-5H-Pyrido(2,3-D) Pyrimidine Derivatives as Tyrosine Kinase and Raf Kinase Inhibitors for the Treatment of Tumours MERCK PATENT GMBH (DE) 2008-06-19 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 (1 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-20080146560-A1 4-Amino-5-Oxo-8-Phenyl-5H-Pyrido(2,3-D) Pyrimidine Derivatives as Tyrosine Kinase and Raf Kinase Inhibitors for the Treatment of Tumours TIE1, PDXK, ERBB2 EPHX2 84/4885KDR 8/4885RAF1 9/4885

“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.