SCHEMBL4244404

SCHEMBL4244404

O=C(Nc1nc2c(C(=O)O)cccc2[nH]1)c1cncc(OCC2CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.46
PARP1 P09874 6/20 0.43
PARP2 Q9UGN5 6/20 0.43
CDK12 Q9NYV4 4/20 0.43
CDK1 P06493 1/20 0.43
CDK2 P24941 1/20 0.43
CDK5 Q00535 1/20 0.43
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
MAOB P27338 2/20 0.42
ADORA2A P29274 2/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
DGAT1 O75907 3/20 0.39
FABP1 P07148 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL4247753 0.96 PARP1 (0.42) NR1H4PARP1PARP2CDK12CDK1
SCHEMBL1201678 0.88 PARP1 (0.40) NR1H4PARP1PARP2CDK12CDK1
SCHEMBL4247116 0.88 GCK (0.43) PARP1PARP2CDK12CDK1CDK2
SCHEMBL4240686 0.85 RIPK1 (0.44) PARP1PARP2CDK12CDK1CDK2
SCHEMBL4241749 0.85 DHODH (0.55) MAOBADORA2AADORA2BADORA1
SCHEMBL4239426 0.85 MAOB (0.46) NR1H4MAOBADORA2AADORA2BADORA1
SCHEMBL1201739 0.85 PARP1 (0.40) NR1H4PARP1PARP2CDK12CDK1
SCHEMBL4235755 0.84 MAOB (0.45) NR1H4MAOBADORA2AADORA2BADORA1
SCHEMBL4239223 0.84 RIPK1 (0.46) NR1H4MAOBADORA2AADORA2BADORA1
SCHEMBL4234897 0.83 MAOB (0.44) PARP1PARP2CDK12CDK1CDK2

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 NR1H4 2410/4885PARP1 1741/4885PARP2 2000/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP NR1H4 2410/4885PARP1 1741/4885PARP2 2000/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP NR1H4 2410/4885PARP1 1741/4885PARP2 2000/4885

“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.