SCHEMBL4244050

SCHEMBL4244050

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.53
NSD2 O96028 3/20 0.52
KMT2A Q03164 4/20 0.49
ESR1 P03372 1/20 0.49
MAPT P10636 1/20 0.49
MAPK10 P53779 1/20 0.49
LMNA P02545 2/20 0.48
ASAH1 Q13510 1/20 0.48
EGFR P00533 1/20 0.47
SRC P12931 1/20 0.47
HPGD P15428 5/20 0.47
GAA P10253 2/20 0.47
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGAV P06756 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL4244045 0.86 ROCK1 (0.49) ROCK1NSD2KMT2AESR1MAPT
SCHEMBL1201717 0.76 EGFR (0.49) ROCK1NSD2KMT2AESR1MAPT
SCHEMBL31680569 0.72 KMT2A (0.89) NSD2KMT2ALMNAHPGDGAA
SCHEMBL11901003 0.72 KMT2A (0.89) NSD2KMT2ALMNAHPGDGAA
SCHEMBL6983554 0.71 EGLN1 (0.76) NSD2KMT2AMAPTLMNAHPGD
SCHEMBL2236766 0.71 HPGD (0.77) NSD2KMT2ALMNAHPGDGAA
SCHEMBL21555500 0.71 LTB4R (0.51) KMT2AITGB3ITGAVMEN1SMN1; SMN2
SCHEMBL4247762 0.71 PTGES (0.39) ITGB3ITGAVNPC1RAB9A
SCHEMBL11192370 0.70 MAPK14 (0.59) NSD2KMT2AHPGDGAAALDH1A1
SCHEMBL24162868 0.70 KMT2A (0.67) NSD2KMT2AESR1MAPTMAPK10

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 2696/4885NSD2 4080/4885KMT2A 4094/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP ROCK1 2696/4885NSD2 4080/4885KMT2A 4094/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP ROCK1 2696/4885NSD2 4080/4885KMT2A 4094/4885

“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.