SCHEMBL1201717

SCHEMBL1201717

Cn1c(NC(=O)c2cc3ccccc3cn2)nc2c(C(=O)NCc3ccccc3)cccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.49
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
NR3C1 P04150 1/20 0.44
LCK P06239 1/20 0.44
PSMD14 O00487 1/20 0.43
COPS5 Q92905 1/20 0.43
ROCK1 Q13464 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MMP13 P45452 1/20 0.42
STING1 Q86WV6 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 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
SCHEMBL1202535 0.79 KDM4E (0.45) EGFRKMT2AMEN1ALDH1A1EGLN1
SCHEMBL1201668 0.78 KMT2A (0.45) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL4244050 0.76 ROCK1 (0.53) EGFRROCK1KMT2AMEN1L3MBTL1
SCHEMBL1202231 0.74 KDM4E (0.39) EGFRROCK1KMT2AMEN1ALDH1A1
SCHEMBL4244045 0.74 ROCK1 (0.49) EGFRROCK1KMT2AMEN1L3MBTL1
SCHEMBL1201444 0.74 EGFR (0.50) EGFRHDAC3HDAC1HDAC2LCK
SCHEMBL12845950 0.73 MAPT (0.43) KMT2AMEN1STING1MAPT
SCHEMBL1201420 0.70 NAMPT (0.44) EGFRHDAC3HDAC1HDAC2KMT2A
SCHEMBL1201894 0.69 HDAC3 (0.46) EGFRHDAC3HDAC1HDAC2KMT2A
SCHEMBL4112508 0.68 MEN1 (0.76) HDAC1HDAC2KMT2AMEN1L3MBTL1

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 EGFR 3247/4885HDAC3 892/4885HDAC1 726/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP EGFR 3148/4885HDAC3 1195/4885HDAC1 1043/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP EGFR 3247/4885HDAC3 892/4885HDAC1 726/4885

“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.