SCHEMBL1202167

SCHEMBL1202167

CS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccoc3)cc3[nH]c(NC(=O)c4cc5ccccc5cn4)nc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 11/20 0.45
MAPK9 P45984 11/20 0.45
MAPK10 P53779 8/20 0.45
NAMPT P43490 2/20 0.39
CYP2C9 P11712 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
PRKD3 O94806 1/20 0.36
MAPK1 P28482 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
LRRK2 Q5S007 1/20 0.35
CCR1 P32246 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL9611680 0.89 HDAC3 (0.38) MAPK8MAPK9MAPK10HDAC3HDAC1
SCHEMBL1201166 0.89 NAMPT (0.46) MAPK8MAPK9MAPK10NAMPTCYP2C9
SCHEMBL1201825 0.87 MAPK8 (0.45) MAPK8MAPK9MAPK10NAMPTCYP2C9
SCHEMBL8260980 0.85 NAMPT (0.38) MAPK8MAPK9MAPK10NAMPTCYP2C9
SCHEMBL1201420 0.85 NAMPT (0.44) MAPK8MAPK9MAPK10NAMPTCYP2C9
SCHEMBL1201728 0.84 NAMPT (0.42) MAPK8MAPK9MAPK10NAMPTCYP2C9
SCHEMBL1201708 0.84 HDAC3 (0.45) MAPK8MAPK9MAPK10NAMPTCYP2C9
SCHEMBL4244503 0.80 MAPK8 (0.53) MAPK8MAPK9MAPK10NAMPTCYP2C9
SCHEMBL4244492 0.79 MAPK8 (0.50) MAPK8MAPK9MAPK10NAMPTCYP2C9
SCHEMBL1201849 0.79 HDAC3 (0.42) MAPK8MAPK9MAPK10NAMPTCYP2C9

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 12 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-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-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 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-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP MAPK8 4657/4885MAPK9 4094/4885MAPK10 4788/4885
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.