SCHEMBL1201255

SCHEMBL1201255

O=C(Nc1nc2c(C(=O)NCCC3CCNCC3)cccc2[nH]1)c1cc2ccccc2cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.48
ABL1 P00519 1/20 0.46
ITGB3 P05106 4/20 0.42
ITGA2B P08514 4/20 0.42
PARP1 P09874 3/20 0.40
NAMPT P43490 1/20 0.40
USP30 Q70CQ3 1/20 0.40
TYRO3 Q06418 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
ROCK2 O75116 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
MAOB P27338 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 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
SCHEMBL1202512 0.91 USP30 (0.47) CHRM1USP30CHRM2CHRM4CHRM3
SCHEMBL1202232 0.90 ABL1 (0.48) CHRM1ABL1PARP1USP30PARP2
SCHEMBL1201736 0.87 PARP1 (0.52) PARP1CDK12PARP2MAOBADORA2A
SCHEMBL1201372 0.85 PARP1 (0.48) PARP1USP30CDK12PARP2ADORA2A
SCHEMBL1202236 0.83 PBK (0.48) USP30
SCHEMBL1201966 0.83 PBK (0.48) USP30
SCHEMBL1201429 0.83 PBK (0.48) USP30
SCHEMBL1200872 0.82 RIPK1 (0.49) MAOBADORA2AADORA2BADORA1DRD3
SCHEMBL1202482 0.82 CYP2C9 (0.54) PARP1USP30ADORA2AADORA2B
SCHEMBL1202333 0.81 PTGES (0.41) MAOBADORA2AADORA2BADORA1DRD3

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 11 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
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-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO 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 CHRM1 3840/4885ABL1 3372/4885ITGB3 1941/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP CHRM1 3898/4885ABL1 3316/4885ITGB3 2333/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP CHRM1 3840/4885ABL1 3372/4885ITGB3 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.