SCHEMBL4238754

SCHEMBL4238754

O=C(Nc1nc2c(C(=O)O)cccc2[nH]1)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.55
ADORA2A P29274 3/20 0.55
ADORA2B P29275 1/20 0.55
ADORA1 P30542 1/20 0.55
DHODH Q02127 5/20 0.52
PARP1 P09874 3/20 0.51
PARP2 Q9UGN5 1/20 0.51
PKN1 Q16512 4/20 0.50
PKN2 Q16513 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48
PLK4 O00444 1/20 0.47
MAPK13 O15264 1/20 0.47
DYRK3 O43781 1/20 0.47
ROCK2 O75116 1/20 0.47
RPS6KA5 O75582 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47

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
SCHEMBL4243664 0.92 DHODH (0.62) MAOBADORA2AADORA2BADORA1DHODH
SCHEMBL4244619 0.89 DHODH (0.54) MAOBADORA2AADORA2BADORA1DHODH
SCHEMBL4235830 0.86 NPC1 (0.61) MAOBADORA2AADORA2BADORA1DHODH
SCHEMBL1201877 0.85 PKN1 (0.47) MAOBADORA2AADORA2BADORA1PARP1
SCHEMBL4240247 0.85 KDM4E (0.61) MAOBADORA2AADORA2BADORA1PARP1
SCHEMBL4244245 0.84 MAOB (0.65) MAOBADORA2AADORA2BADORA1DHODH
SCHEMBL4244085 0.83 IRAK4 (0.53) MAOBADORA2AADORA2BADORA1DHODH
SCHEMBL4239792 0.82 NPC1 (0.65) MAOBADORA2AADORA2BADORA1DHODH
SCHEMBL4243702 0.81 DHODH (0.62) MAOBADORA2AADORA2BADORA1DHODH
SCHEMBL4237847 0.81 DHODH (0.52) MAOBADORA2AADORA2BADORA1DHODH

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 7 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-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP 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 MAOB 269/4885ADORA2A 3841/4885ADORA2B 2520/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP MAOB 269/4885ADORA2A 3841/4885ADORA2B 2520/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP MAOB 269/4885ADORA2A 3841/4885ADORA2B 2520/4885

“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.