SCHEMBL4242702

SCHEMBL4242702

Nc1nc2c(C(=O)Nc3cc[nH]n3)cccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 15/20 0.41
PKN1 Q16512 2/20 0.40
PKN2 Q16513 2/20 0.40
PARP2 Q9UGN5 1/20 0.39
PTGES O14684 1/20 0.39
DHODH Q02127 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
SCHEMBL4242700 0.85 PARP1 (0.47) PARP1PARP2
SCHEMBL4239443 0.81 MEN1 (0.53)
SCHEMBL11428622 0.80 PRKCI (0.50) PARP1PTGESDHODH
SCHEMBL4239271 0.80 HRH4 (0.43) PARP1PKN1PKN2PTGES
SCHEMBL24112332 0.78 PKN1 (0.61) PARP1PKN1PKN2
SCHEMBL4235147 0.78 PARP1 (0.47) PARP1PKN1PKN2PTGES
SCHEMBL23835770 0.77 PARP1 (0.51) PARP1PKN1PKN2
SCHEMBL4244339 0.77 LMNA (0.50) PARP1PTGESDHODH
SCHEMBL4239198 0.76 PNLIP (0.54) DHODH
SCHEMBL1202374 0.75 PKN1 (0.61) PARP1PKN1PKN2

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 PARP1 1741/4885PKN1 2174/4885PKN2 1415/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP PARP1 1741/4885PKN1 2174/4885PKN2 1415/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PARP1 1741/4885PKN1 2174/4885PKN2 1415/4885

“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.