SCHEMBL4248697

SCHEMBL4248697

CC(C)c1cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c2nc(N)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.48
NAMPT P43490 1/20 0.48
MAPK8 P45983 18/20 0.46
MAPK9 P45984 16/20 0.46
MAPK10 P53779 12/20 0.46
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PRKD3 O94806 2/20 0.43
MAPK1 P28482 2/20 0.43
PRKD2 Q9BZL6 2/20 0.43
DYRK3 O43781 1/20 0.41
JUN P05412 1/20 0.41
CSF1R P07333 1/20 0.41
RPS27 P42677 1/20 0.41

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
SCHEMBL4248691 0.89 CYP2C9 (0.46) CYP2C9NAMPTMAPK8MAPK9MAPK10
SCHEMBL4248496 0.84 CYP2C9 (0.48) CYP2C9NAMPTMAPK8MAPK9MAPK10
SCHEMBL4239390 0.83 NAMPT (0.53) CYP2C9NAMPTMAPK8MAPK9MAPK10
SCHEMBL4239542 0.83 CYP2C9 (0.49) CYP2C9NAMPTMAPK8MAPK9MAPK10
SCHEMBL4239914 0.81 MAPK8 (0.53) CYP2C9NAMPTMAPK8MAPK9MAPK10
SCHEMBL4244503 0.81 MAPK8 (0.53) CYP2C9NAMPTMAPK8MAPK9MAPK10
SCHEMBL1201728 0.79 NAMPT (0.42) CYP2C9NAMPTMAPK8MAPK9MAPK10
SCHEMBL4241746 0.73 PDE4B (0.47) CYP2C9NAMPTMAPK8MAPK9MAPK10
SCHEMBL4248493 0.73 CYP2C9 (0.46) CYP2C9NAMPTMAPK8MAPK9MAPK10
SCHEMBL4239382 0.72 NAMPT (0.52) CYP2C9NAMPTMAPK8MAPK9MAPK10

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 CYP2C9 739/4885NAMPT 842/4885MAPK8 4603/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP CYP2C9 739/4885NAMPT 842/4885MAPK8 4603/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP CYP2C9 739/4885NAMPT 842/4885MAPK8 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.