SCHEMBL4239382

SCHEMBL4239382

CS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccncc3)cc3[nH]c(C(N)=O)nc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.52
CYP2C9 P11712 2/20 0.52
MAPK8 P45983 9/20 0.48
MAPK9 P45984 8/20 0.48
MAPK10 P53779 3/20 0.42
CA2 P00918 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4239390 0.89 NAMPT (0.53) NAMPTCYP2C9MAPK8MAPK9MAPK10
SCHEMBL4239912 0.89 MAPK8 (0.50) NAMPTCYP2C9MAPK8MAPK9MAPK10
SCHEMBL4244492 0.87 MAPK8 (0.50) NAMPTCYP2C9MAPK8MAPK9MAPK10
SCHEMBL4248493 0.83 CYP2C9 (0.46) NAMPTCYP2C9MAPK8MAPK9MAPK10
SCHEMBL4248691 0.83 CYP2C9 (0.46) NAMPTCYP2C9MAPK8MAPK9MAPK10
SCHEMBL4244582 0.82 ABL1 (0.45)
SCHEMBL4239537 0.82 AURKA (0.49) NAMPTCYP2C9MAPK8MAPK9MAPK10
SCHEMBL1201166 0.78 NAMPT (0.46) NAMPTCYP2C9MAPK8MAPK9MAPK10
SCHEMBL4239914 0.78 MAPK8 (0.53) NAMPTCYP2C9MAPK8MAPK9MAPK10
SCHEMBL4239231 0.77 KDM4E (0.50) NAMPTCYP2C9MAPK8MAPK9MAPK10

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 9 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-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP 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
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US disclosed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 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 (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 NAMPT 842/4885CYP2C9 739/4885MAPK8 4603/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP NAMPT 842/4885CYP2C9 739/4885MAPK8 4603/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP NAMPT 842/4885CYP2C9 739/4885MAPK8 4603/4885

“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.