SCHEMBL3831491

SCHEMBL3831491

CN1CCC(COc2ccc(NC(=O)Nc3ccc(-n4ccc(=O)c5c(N)ncnc54)cc3)cc2C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.47
BRAF P15056 7/20 0.47
RAF1 P04049 3/20 0.47
ARAF P10398 2/20 0.47
KCNH2 Q12809 3/20 0.42
FGFR1 P11362 1/20 0.41
PDGFRA P16234 2/20 0.40
AURKA O14965 1/20 0.40
CDK1 P06493 1/20 0.40
PDGFRB P09619 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
RET P07949 1/20 0.39
SRC P12931 4/20 0.39
MAP3K7 O43318 1/20 0.39
ERBB2 P04626 1/20 0.39
FYN P06241 1/20 0.39
EPHA2 P29317 1/20 0.39
EPHB2 P29323 1/20 0.39
BLK P51451 1/20 0.39

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
SCHEMBL3833227 0.91 RET (0.40) KDRBRAFRAF1ARAFFLT1
SCHEMBL3834284 0.90 RET (0.43) KDRBRAFRAF1KCNH2FGFR1
SCHEMBL3242770 0.90 KDR (0.45) KDRBRAFRAF1ARAFKCNH2
SCHEMBL3831499 0.90 KDR (0.51) KDRBRAFRAF1ARAFKCNH2
SCHEMBL3235223 0.85 KCNH2 (0.41) KDRBRAFRAF1KCNH2FGFR1
SCHEMBL3833067 0.85 KDR (0.45) KDRBRAFRAF1AURKAPDGFRB
SCHEMBL3836297 0.84 RIPK1 (0.40) KDRBRAFRAF1FGFR1AURKA
SCHEMBL3832628 0.82 EPHX2 (0.53) KDRBRAFRAF1ARAFRET
SCHEMBL3834618 0.82 KDR (0.43) KDRBRAFRAF1FLT1FLT4
SCHEMBL3833243 0.81 RET (0.42) KDRBRAFFGFR1PDGFRAAURKA

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 8/4885BRAF 28/4885RAF1 21/4885

“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.