SCHEMBL4244589

SCHEMBL4244589

CCNC(=O)c1cc(-c2ccncc2)cc2[nH]c(N)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.47
RAD52 P43351 1/20 0.41
UHRF1 Q96T88 1/20 0.41
PKN1 Q16512 4/20 0.40
PKN2 Q16513 4/20 0.40
DHODH Q02127 3/20 0.39
KDR P35968 1/20 0.39
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.37
MAPK13 O15264 1/20 0.37
DYRK3 O43781 1/20 0.37
ROCK2 O75116 1/20 0.37
RPS6KA5 O75582 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
CHEK2 O96017 1/20 0.37
PIM1 P11309 1/20 0.37
PHKG2 P15735 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
SCHEMBL4244582 0.86 ABL1 (0.45) ABL1RAD52UHRF1PKN1PKN2
SCHEMBL1202430 0.82 PKN1 (0.53) PKN1PKN2DHODHPARP1PARP2
SCHEMBL4239390 0.82 NAMPT (0.53) PRKD3PRKD2
SCHEMBL4241755 0.79 PTGES (0.42) ROCK2ROCK1DYRK1A
SCHEMBL4244315 0.78 TBK1 (0.39) ABL1PKN1PKN2PARP1PARP2
SCHEMBL24754416 0.76 PARP1 (0.51) RAD52UHRF1PKN1PKN2KDR
SCHEMBL1202696 0.75 ABL1 (0.46) ABL1
SCHEMBL20482363 0.68 DHODH (0.80) DHODH
SCHEMBL25808876 0.68 PKMYT1 (0.41) ABL1PARP1KDM5A
SCHEMBL4244503 0.67 MAPK8 (0.53) PRKD3PRKD2

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 ABL1 3372/4885RAD52 4693/4885UHRF1 4127/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP ABL1 3372/4885RAD52 4693/4885UHRF1 4127/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP ABL1 3372/4885RAD52 4693/4885UHRF1 4127/4885

“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.