SCHEMBL3946376

SCHEMBL3946376

Nc1ccc(-c2cccnc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
MAP4K4 O95819 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KDR P35968 3/20 0.41
RIPK1 Q13546 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
S100A4 P26447 1/20 0.40
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
KIT P10721 2/20 0.39
FLT3 P36888 2/20 0.39
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 2/20 0.38

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
SCHEMBL27945860 0.82 DHODH (0.51) DHODHMAP4K4NPC1RAB9ATDP1
SCHEMBL3327536 0.81 DHODH (0.50) DHODHNPC1RAB9ATDP1MAPT
SCHEMBL24196102 0.80 DHODH (0.43) DHODHMKNK1MKNK2NPC1RAB9A
SCHEMBL22230633 0.80 DHODH (0.47) DHODHNPC1RAB9ARIPK1TDP1
SCHEMBL27652759 0.80 NPC1 (0.54) DHODHMKNK1MKNK2NPC1RAB9A
SCHEMBL15638509 0.80 RAB9A (0.54) DHODHNPC1RAB9ATDP1MAPT
SCHEMBL15638280 0.79 PIK3CD (0.52) DHODHMKNK1MKNK2MAP4K4ALDH1A1
SCHEMBL2459179 0.79 DHODH (0.43) DHODHNPC1RAB9ATDP1S100A4
SCHEMBL18449665 0.78 PTGS2 (0.45) MKNK1MKNK2MAP4K4RAB9ATDP1
SCHEMBL18448915 0.78 PTGS2 (0.45) MKNK1MKNK2MAP4K4RAB9ATDP1

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
US-8076486-B2 Heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO S.A. (CH) 2011-12-13 US disclosed
EP-2013180-A1 NOVEL HETEROARYL-SUBSTITUTED ARYLAMINOPYRIDINE DERIVATIVES AS MEK INHIBITORS Laboratoires Serono SA (CH) 2009-01-14 EP disclosed
US-20070287737-A1 Novel heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO SA (CH) 2007-12-13 US disclosed
WO-2007123936-A1 NOVEL HETEROARYL-SUBSTITUTED ARYLAMINOPYRIDINE DERIVATIVES AS MEK INHIBITORS LABORATOIRES SERONO SA (CH) 2007-11-01 WO 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-20070287737-A1 Novel heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors NRAS, MAP3K5, MAP3K1 DHODH 1493/4885MKNK1 116/4885MKNK2 135/4885

“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.