SCHEMBL4242333

SCHEMBL4242333

NC(=O)c1nc2cccc(C(=O)NCc3cc(F)cc(F)c3)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.44
RPS6KB1 P23443 3/20 0.44
AURKB Q96GD4 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
MMP13 P45452 2/20 0.40
MAPT P10636 3/20 0.39
ROCK1 Q13464 1/20 0.39
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
ESR1 P03372 1/20 0.38
MAPK10 P53779 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
NSD2 O96028 1/20 0.38
MET P08581 1/20 0.37

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
SCHEMBL4243703 0.92 ROCK1 (0.46) AURKARPS6KB1AURKBRAB9AMMP13
SCHEMBL4246314 0.90 SMN1; SMN2 (0.50) AURKARPS6KB1EGLN1RAB9ASMN1; SMN2
SCHEMBL4242338 0.86 EGLN1 (0.46) AURKARPS6KB1AURKBEGLN1RAB9A
SCHEMBL4239959 0.86 SMN1; SMN2 (0.53) SMN1; SMN2MAPTKMT2AESR1MAPK10
SCHEMBL4241582 0.83 POLA1 (0.46) EGLN1RAB9ASMN1; SMN2HTTKMT2A
SCHEMBL4239339 0.83 HPGD (0.52) MAPTKMT2AESR1MAPK10
SCHEMBL4235809 0.83 PTGER4 (0.44) AURKARPS6KB1AURKBRAB9ASMN1; SMN2
SCHEMBL4241181 0.81 KMT2A (0.54) KMT2APOLB
SCHEMBL4246321 0.81 HPGD (0.58) RAB9AMMP13KMT2A
SCHEMBL4239186 0.81 HPGD (0.50) EGLN1SMN1; SMN2MMP13MAPTKMT2A

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 AURKA 2588/4885RPS6KB1 3357/4885AURKB 1888/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP AURKA 2588/4885RPS6KB1 3357/4885AURKB 1888/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP AURKA 2588/4885RPS6KB1 3357/4885AURKB 1888/4885

“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.