SCHEMBL4239271

SCHEMBL4239271

Nc1nccc(NC(=O)c2cccc3[nH]c(N)nc23)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.43
KDR P35968 1/20 0.42
GRM5 P41594 1/20 0.42
PKN1 Q16512 2/20 0.41
PKN2 Q16513 2/20 0.41
ROCK1 Q13464 4/20 0.40
PTGES O14684 1/20 0.39
PARP1 P09874 3/20 0.39
CDK5 Q00535 3/20 0.39
CDK5R1 Q15078 3/20 0.39
NUDT1 P36639 1/20 0.38
CAMK2G Q13555 2/20 0.38
DYRK1A Q13627 2/20 0.38
PLK4 O00444 1/20 0.38
MAPK13 O15264 1/20 0.38
DYRK3 O43781 1/20 0.38
ROCK2 O75116 1/20 0.38
RPS6KA5 O75582 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38

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
SCHEMBL4239260 0.87 PARP1 (0.45) HRH4KDRPKN1PKN2ROCK1
SCHEMBL4239443 0.84 MEN1 (0.53) GRM5
SCHEMBL4242702 0.80 PARP1 (0.41) PKN1PKN2PTGESPARP1
SCHEMBL1201732 0.79 HRH4 (0.41) HRH4KDRPARP1CDK5ROCK2
SCHEMBL11428622 0.78 PRKCI (0.50) KDRGRM5PTGESPARP1LMNA
SCHEMBL4235147 0.78 PARP1 (0.47) PKN1PKN2ROCK1PTGESPARP1
SCHEMBL24112332 0.76 PKN1 (0.61) PKN1PKN2PARP1NUDT1
SCHEMBL4246271 0.76 ALDH1A1 (0.53) KDRPKN1PKN2PARP1CLK2
SCHEMBL23835770 0.76 PARP1 (0.51) KDRPKN1PKN2PARP1
SCHEMBL9611610 0.75 HRH4 (0.35) HRH4KDRGRM5PKN1PKN2

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 HRH4 2340/4885KDR 4548/4885GRM5 2824/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP HRH4 2340/4885KDR 4548/4885GRM5 2824/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP HRH4 2340/4885KDR 4548/4885GRM5 2824/4885

“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.