SCHEMBL4244492

SCHEMBL4244492

CS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccoc3)cc3[nH]c(C(N)=O)nc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 12/20 0.50
MAPK9 P45984 11/20 0.50
MAPK10 P53779 5/20 0.50
CYP2C9 P11712 2/20 0.43
NAMPT P43490 2/20 0.43
SCD O00767 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LRRK2 Q5S007 1/20 0.39
GSK3B P49841 1/20 0.38
KLK1 P06870 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
PRKD3 O94806 1/20 0.37
MAPK1 P28482 1/20 0.37
PRKD2 Q9BZL6 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
SCHEMBL4244503 0.90 MAPK8 (0.53) MAPK8MAPK9MAPK10CYP2C9NAMPT
SCHEMBL4239382 0.87 NAMPT (0.52) MAPK8MAPK9MAPK10CYP2C9NAMPT
SCHEMBL4239912 0.84 MAPK8 (0.50) MAPK8MAPK9MAPK10CYP2C9NAMPT
SCHEMBL4248691 0.81 CYP2C9 (0.46) MAPK8MAPK9MAPK10CYP2C9NAMPT
SCHEMBL4248493 0.81 CYP2C9 (0.46) MAPK8MAPK9MAPK10CYP2C9NAMPT
SCHEMBL4239537 0.80 AURKA (0.49) MAPK8MAPK9MAPK10CYP2C9NAMPT
SCHEMBL1202167 0.79 MAPK8 (0.45) MAPK8MAPK9MAPK10CYP2C9NAMPT
SCHEMBL4239390 0.76 NAMPT (0.53) MAPK8MAPK9MAPK10CYP2C9NAMPT
SCHEMBL4239914 0.74 MAPK8 (0.53) MAPK8MAPK9MAPK10CYP2C9NAMPT
SCHEMBL4239231 0.73 KDM4E (0.50) MAPK8MAPK9MAPK10CYP2C9NAMPT

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 6 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
EP-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 EP 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 MAPK8 4603/4885MAPK9 3960/4885MAPK10 4731/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP MAPK8 4603/4885MAPK9 3960/4885MAPK10 4731/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP MAPK8 4603/4885MAPK9 3960/4885MAPK10 4731/4885

“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.