SCHEMBL4244377

SCHEMBL4244377

Nc1nc2c(C(=O)NCC3CCNCC3)cccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 2/20 0.53
CHRM1 P11229 9/20 0.52
PARP1 P09874 2/20 0.50
CHRM2 P08172 2/20 0.49
CHRM4 P08173 2/20 0.49
CHRM3 P20309 2/20 0.49
HTR3A P46098 7/20 0.48
HTR4 Q13639 7/20 0.48
CHRM5 P08912 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
SCHEMBL4243582 0.89 PARP1 (0.51) PBKCHRM1PARP1
SCHEMBL4239353 0.87 PBK (0.56) PBKPARP1
SCHEMBL4244372 0.87 PARP1 (0.62) PBKCHRM1PARP1
SCHEMBL29400996 0.84 HTR3A (0.62) PBKCHRM1PARP1CHRM2CHRM4
SCHEMBL828936 0.84 HTR4 (0.68) PBKCHRM1PARP1HTR3AHTR4
SCHEMBL29397140 0.84 HTR4 (0.68) PBKCHRM1PARP1HTR3AHTR4
SCHEMBL829207 0.84 HTR3A (0.62) PBKCHRM1PARP1CHRM2CHRM4
SCHEMBL4243644 0.82 PARP1 (0.68) PBKPARP1
SCHEMBL4247805 0.81 HTR4 (0.63) PARP1HTR3AHTR4
SCHEMBL4236212 0.79 PARP1 (0.52) PBKPARP1

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 PBK 3555/4885CHRM1 3840/4885PARP1 1741/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP PBK 3555/4885CHRM1 3840/4885PARP1 1741/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PBK 3555/4885CHRM1 3840/4885PARP1 1741/4885

“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.