SCHEMBL12784170

SCHEMBL12784170

CNC(=O)[C@H](C)NC(=O)c1cccc2[nH]c(-c3cc4ccccc4cn3)nc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 2/20 0.46
PKN2 Q16513 2/20 0.46
RET P07949 2/20 0.44
CDK1 P06493 1/20 0.44
KDR P35968 1/20 0.44
DHODH Q02127 7/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
CCKAR P32238 1/20 0.39
PARP1 P09874 5/20 0.38
PARP2 Q9UGN5 1/20 0.37
BTK Q06187 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
SCHEMBL12785423 0.91 RET (0.44) PKN1PKN2RETCDK1KDR
SCHEMBL1201462 0.82 PKN1 (0.39) PKN1PKN2RETCDK1KDR
SCHEMBL1201457 0.82 RAD52 (0.46) PKN1PKN2RETCDK1KDR
SCHEMBL1201442 0.81 DHODH (0.48) PKN1PKN2DHODHMAPTPARP1
SCHEMBL1202174 0.79 PKN1 (0.59) PKN1PKN2CDK1KDRDHODH
SCHEMBL1201367 0.79 BACE1 (0.46) RETCDK1KDRDHODHCCKAR
SCHEMBL1202741 0.79 DHODH (0.60) DHODHPARP1
SCHEMBL1202246 0.77 DRD2 (0.49) PKN1PKN2DHODHHTT
SCHEMBL1202685 0.75 ALB (0.45) DHODHCCKAR
SCHEMBL1200788 0.75 ALB (0.45) DHODHCCKAR

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-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-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 PKN1 2174/4885PKN2 1415/4885RET 4341/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP PKN1 2194/4885PKN2 1402/4885RET 4334/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PKN1 2174/4885PKN2 1415/4885RET 4341/4885

“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.