SCHEMBL4244045

SCHEMBL4244045

Cn1c(C(N)=O)nc2c(C(=O)NCc3ccccc3)cccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.49
KMT2A Q03164 5/20 0.47
ESR1 P03372 1/20 0.47
MAPT P10636 1/20 0.47
MAPK10 P53779 1/20 0.47
NSD2 O96028 3/20 0.47
LMNA P02545 2/20 0.46
EGFR P00533 1/20 0.46
SRC P12931 1/20 0.46
HPGD P15428 3/20 0.45
GAA P10253 2/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CD38 P28907 1/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL4244050 0.86 ROCK1 (0.53) ROCK1KMT2AESR1MAPTMAPK10
SCHEMBL1201717 0.74 EGFR (0.49) ROCK1KMT2AESR1MAPTMAPK10
SCHEMBL1942206 0.71 PARP1 (0.45) MAPTEGFRSRCALDH1A1HSD17B10
SCHEMBL31680569 0.70 KMT2A (0.89) KMT2ANSD2LMNAHPGDGAA
SCHEMBL11901003 0.70 KMT2A (0.89) KMT2ANSD2LMNAHPGDGAA
SCHEMBL6983554 0.70 EGLN1 (0.76) KMT2AMAPTNSD2LMNAHPGD
SCHEMBL24162868 0.68 KMT2A (0.67) KMT2AESR1MAPTMAPK10NSD2
SCHEMBL12109632 0.68 PARP1 (0.57) KMT2AESR1MAPTMAPK10NSD2
SCHEMBL15621739 0.68 KMT2A (0.62) KMT2ANSD2LMNAHPGDGAA
SCHEMBL27903143 0.68 HDAC2 (0.73) KMT2ANSD2LMNAHPGDGAA

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 7 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-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 ROCK1 2696/4885KMT2A 4094/4885ESR1 3568/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP ROCK1 2696/4885KMT2A 4094/4885ESR1 3568/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP ROCK1 2696/4885KMT2A 4094/4885ESR1 3568/4885

“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.