SCHEMBL1202136

SCHEMBL1202136

COC(=O)c1cc(C(F)(F)F)cc2[nH]c(NC(=O)c3cc4ccccc4cn3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
ABL1 P00519 1/20 0.39
SRC P12931 1/20 0.39
MTOR P42345 1/20 0.39
PYGL P06737 1/20 0.39
PYGM P11217 1/20 0.39
PTGES O14684 3/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
PDE5A O76074 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
PKM P14618 1/20 0.38
GABRA1 P14867 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL1202676 0.89 PYGL (0.42) CSNK1DCSNK1EPYGLPYGMPTGES
SCHEMBL1202315 0.85 RIPK1 (0.52) LMNAMAPTKDM4EGABRPGABRD
SCHEMBL1202148 0.85 RAB9A (0.42) PYGLPYGMLMNAMAPTKDM4E
SCHEMBL1202451 0.83 PKN1 (0.44) ABL1LMNAMAPTMAOBADORA2A
SCHEMBL1201362 0.83 RIPK1 (0.42) LMNAMAPTCYP1A2PKMGABRA1
SCHEMBL1201283 0.83 KMT2A (0.51) PYGLPYGMMAPTALDH1A1MEN1
SCHEMBL9611649 0.77 RAB9A (0.34) LMNAMAPTPKMMAOBADORA2A
SCHEMBL1201846 0.77 MAOB (0.43) MAPTPKMMAOBADORA2AMEN1
SCHEMBL1201567 0.76 MEN1 (0.42) PYGLPYGMMAPTKDM4EPKM
SCHEMBL1202261 0.75 MAOB (0.51) LMNAKDM4EPKMHPGDMAOB

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
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-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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 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 (4 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 CSNK1D 682/4885CSNK1E 819/4885ABL1 3372/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP CSNK1D 847/4885CSNK1E 975/4885ABL1 3316/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP CSNK1D 682/4885CSNK1E 819/4885ABL1 3372/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP CSNK1D 682/4885CSNK1E 819/4885ABL1 3372/4885

“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.