SCHEMBL10106459

SCHEMBL10106459

[C-]#[N+]c1ccc(Nc2nccc(Cl)c2F)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
KDR P35968 2/20 0.32
DHODH Q02127 1/20 0.32
FGFR1 P11362 1/20 0.32
FLT1 P17948 1/20 0.32
EPHB2 P29323 1/20 0.32
FLT4 P35916 1/20 0.32
EGFR P00533 5/20 0.32
LRRK2 Q5S007 1/20 0.31
MAPK10 P53779 1/20 0.30

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
SCHEMBL10106454 0.90 DHODH (0.33) GRM4BACE1BACE2DHODHEGFR
SCHEMBL10106233 0.73 EGFR (0.39) KDRFGFR1FLT1EPHB2FLT4
SCHEMBL10105801 0.71 MKNK2 (0.39) KDRFGFR1FLT1EPHB2FLT4
SCHEMBL10116431 0.70 KDR (0.37) KDRFGFR1FLT1EPHB2FLT4
SCHEMBL997705 0.70 RAPGEF4 (0.34) LRRK2
SCHEMBL29952346 0.70 RAPGEF4 (0.34) LRRK2
SCHEMBL10105808 0.69 GPR119 (0.41) KDRFGFR1FLT1EPHB2FLT4
SCHEMBL10120542 0.69 GPR119 (0.42) BACE2LRRK2
SCHEMBL10105823 0.67 SRC (0.34)
SCHEMBL10116306 0.67 KDR (0.36) KDRFGFR1FLT1EPHB2FLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, BDKRB2, GLP1R GRM4 424/4885BACE1 996/4885BACE2 1026/4885

“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.