SCHEMBL3835826

SCHEMBL3835826

Nc1ncnc2c1c(=O)ccn2-c1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.51
EPHX2 P34913 1/20 0.47
RET P07949 3/20 0.47
FLT1 P17948 10/20 0.46
TEK Q02763 7/20 0.46
RIPK1 Q13546 5/20 0.46
FLT3 P36888 6/20 0.45
KIT P10721 5/20 0.45
FLT4 P35916 5/20 0.44
GSK3B P49841 4/20 0.44
GSK3A P49840 3/20 0.44
EGFR P00533 2/20 0.44
AURKA O14965 4/20 0.44
CSF1R P07333 3/20 0.44
LCK P06239 3/20 0.44
FGFR1 P11362 3/20 0.44
DYRK3 O43781 2/20 0.44
ROCK2 O75116 2/20 0.44
MAP4K4 O95819 2/20 0.44
CHEK2 O96017 2/20 0.44

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
SCHEMBL3834274 0.90 KDR (0.57) KDRRETFLT1TEKRIPK1
SCHEMBL3831528 0.90 RET (0.61) KDRRETFLT1TEKRIPK1
SCHEMBL3833005 0.89 RIPK1 (0.57) KDRRETFLT1TEKRIPK1
SCHEMBL3239163 0.89 CSF1R (0.41) KDRRETFLT1TEKRIPK1
SCHEMBL3833228 0.89 TEK (0.49) KDRRETFLT1TEKRIPK1
SCHEMBL3236450 0.89 RET (0.44) KDRRETFLT1TEKRIPK1
SCHEMBL12391534 0.88 KDR (0.48) KDRRETFLT1TEKFLT3
SCHEMBL3834263 0.87 RIPK1 (0.56) KDRRETFLT1TEKRIPK1
SCHEMBL3238527 0.87 RET (0.46) KDRRETFLT1TEKRIPK1
SCHEMBL3829680 0.87 RET (0.50) KDRRETFLT1TEKRIPK1

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 KDR 8/4885EPHX2 1417/4885RET 6/4885

“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.