SCHEMBL4243703

SCHEMBL4243703

NC(=O)c1nc2cccc(C(=O)NCc3cccc(F)c3)c2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.46
MAPT P10636 1/20 0.46
RPS6KB1 P23443 3/20 0.45
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
MAOB P27338 1/20 0.45
TP53 P04637 2/20 0.45
ROCK2 O75116 4/20 0.44
ADORA2A P29274 2/20 0.44
ADORA2B P29275 2/20 0.44
MMP13 P45452 2/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA1 P30542 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4242333 0.92 AURKA (0.44) ROCK1MAPTRPS6KB1AURKAAURKB
SCHEMBL4246314 0.89 SMN1; SMN2 (0.50) ROCK1MAPTRPS6KB1AURKARAB9A
SCHEMBL4239959 0.88 SMN1; SMN2 (0.53) MAPT
SCHEMBL4243705 0.87 ROCK1 (0.50) ROCK1MAPTAURKAAURKBMAOB
SCHEMBL4246321 0.84 HPGD (0.58) MMP13RAB9A
SCHEMBL4235809 0.84 PTGER4 (0.44) RPS6KB1AURKAAURKBMMP13RAB9A
SCHEMBL4239339 0.82 HPGD (0.52) MAPTTP53ADORA2AADORA1
SCHEMBL4241582 0.82 POLA1 (0.46) TP53ADORA2AADORA1RAB9A
SCHEMBL4241181 0.80 KMT2A (0.54)
SCHEMBL4239186 0.80 HPGD (0.50) MAPTTP53MMP13

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
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 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 (3 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP ROCK1 2696/4885MAPT 85/4885RPS6KB1 3357/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP ROCK1 2696/4885MAPT 85/4885RPS6KB1 3357/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP ROCK1 2696/4885MAPT 85/4885RPS6KB1 3357/4885

“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.