SCHEMBL3235249

SCHEMBL3235249

COCCCNCCOc1ncc(NC(=O)Nc2ccc(-n3ccc(=O)c4c(N)ncnc43)cc2)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.37
FLT3 P36888 1/20 0.37
SRC P12931 6/20 0.37
BRAF P15056 4/20 0.37
RAF1 P04049 2/20 0.37
MET P08581 1/20 0.36
RET P07949 4/20 0.36
RIPK1 Q13546 2/20 0.35

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
SCHEMBL3834620 0.90 RET (0.39) KDRFLT3SRCBRAFRAF1
SCHEMBL3239039 0.90 RET (0.40) KDRFLT3SRCBRAFRAF1
SCHEMBL3235234 0.89 SRC (0.38) KDRFLT3SRCBRAFRAF1
SCHEMBL3837288 0.84 ALDH1A1 (0.45) KDRFLT3SRCBRAFRAF1
SCHEMBL3240554 0.83 EPHX2 (0.48) KDRFLT3BRAFRAF1RET
SCHEMBL3242770 0.81 KDR (0.45) KDRSRCBRAFRAF1
SCHEMBL3244888 0.81 RIPK1 (0.42) KDRFLT3SRCBRAFRAF1
SCHEMBL3836297 0.80 RIPK1 (0.40) KDRFLT3SRCBRAFRAF1
SCHEMBL3833067 0.80 KDR (0.45) KDRFLT3SRCBRAFRAF1
SCHEMBL3834618 0.79 KDR (0.43) KDRFLT3SRCBRAFRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDR 8/4885FLT3 36/4885SRC 119/4885

“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.