SCHEMBL4243582

SCHEMBL4243582

Nc1nc2c(C(=O)NCCC3CCNCC3)cccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.51
CHRM1 P11229 1/20 0.51
ITGB3 P05106 4/20 0.48
ITGA2B P08514 4/20 0.48
TYRO3 Q06418 1/20 0.43
NAMPT P43490 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
PBK Q96KB5 1/20 0.41

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
SCHEMBL4244377 0.89 PBK (0.53) PARP1CHRM1PBK
SCHEMBL4236212 0.88 PARP1 (0.52) PARP1PARP2PBK
SCHEMBL4243580 0.87 PARP1 (0.62) PARP1CHRM1PARP2
SCHEMBL4243644 0.83 PARP1 (0.68) PARP1PARP2PBK
SCHEMBL4239353 0.79 PBK (0.56) PARP1PBK
SCHEMBL4239156 0.77 TSHR (0.55) PARP1
SCHEMBL1201255 0.77 CHRM1 (0.48) PARP1CHRM1ITGB3ITGA2BTYRO3
SCHEMBL24754416 0.76 PARP1 (0.51) PARP1PARP2
SCHEMBL4244372 0.76 PARP1 (0.62) PARP1CHRM1PARP2PBK
SCHEMBL4246224 0.76 RAD52 (0.47) PARP1

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 5 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
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 1741/4885CHRM1 3840/4885ITGB3 1941/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP PARP1 1741/4885CHRM1 3840/4885ITGB3 1941/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PARP1 1741/4885CHRM1 3840/4885ITGB3 1941/4885

“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.