SCHEMBL3829680

SCHEMBL3829680

COc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(-n2ccc(=O)c3c(N)ncnc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.50
BRAF P15056 1/20 0.48
FLT1 P17948 6/20 0.48
TEK Q02763 5/20 0.48
KDR P35968 4/20 0.48
RAF1 P04049 8/20 0.47
CSF1R P07333 3/20 0.46
KIT P10721 3/20 0.46
FLT4 P35916 3/20 0.46
AURKA O14965 3/20 0.46
LCK P06239 2/20 0.46
PDGFRB P09619 2/20 0.46
FGFR1 P11362 2/20 0.46
PDGFRA P16234 2/20 0.46
FGFR3 P22607 2/20 0.46
FLT3 P36888 2/20 0.46
AURKB Q96GD4 2/20 0.46
FGFR2 P21802 1/20 0.46
FGFR4 P22455 1/20 0.46
GSK3A P49840 2/20 0.46

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
SCHEMBL3829906 0.89 RET (0.47) RETBRAFFLT1TEKKDR
SCHEMBL3833067 0.88 KDR (0.45) RETBRAFFLT1TEKKDR
SCHEMBL3831528 0.88 RET (0.61) RETFLT1TEKKDRCSF1R
SCHEMBL3837284 0.87 RET (0.44) RETBRAFFLT1TEKKDR
SCHEMBL3837288 0.87 ALDH1A1 (0.45) RETBRAFFLT1TEKKDR
SCHEMBL3835826 0.87 KDR (0.51) RETFLT1TEKKDRCSF1R
SCHEMBL3834284 0.85 RET (0.43) RETBRAFFLT1TEKKDR
SCHEMBL3836431 0.85 TEK (0.47) RETBRAFFLT1TEKKDR
SCHEMBL2336170 0.84 RET (0.48) RETFLT1TEKKDRCSF1R
SCHEMBL3833243 0.84 RET (0.42) RETBRAFFLT1TEKKDR

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
EP-1682548-B1 PYRIDOPYRIMIDINONES FOR THE TREATMENT OF CANCER DISEASES MERCK PATENT GMBH (DE) 2009-09-23 EP claimed
US-7547695-B2 Pyridopyrimidinones MERCK PATENT GMBH (DE) 2009-06-16 US claimed
US-20070099910-A1 Pyridopyrimidinones MERCK PATENT GMBH (DE) 2007-05-03 US claimed
US-7547695-B2 Pyridopyrimidinones MERCK PATENT GMBH (DE) 2009-06-16 US disclosed
US-20070099910-A1 Pyridopyrimidinones MERCK PATENT GMBH (DE) 2007-05-03 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-20070099910-A1 Pyridopyrimidinones TIE1, FER, FLT1 RET 6/4885BRAF 28/4885FLT1 3/4885

“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.