SCHEMBL4239965

SCHEMBL4239965

Nc1nc2cccc(C(=O)NCc3ccccc3)c2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
NSD2 O96028 3/20 0.54
KMT2A Q03164 3/20 0.54
ESR1 P03372 1/20 0.54
MAPT P10636 1/20 0.54
MAPK10 P53779 1/20 0.54
TACR3 P29371 1/20 0.50
CYP2D6 P10635 1/20 0.49
GALR3 O60755 1/20 0.49
NR2F2 P24468 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
METAP2 P50579 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
APEX1 P27695 1/20 0.48

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
SCHEMBL4241583 0.89 ADORA2A (0.48) SMN1; SMN2KMT2AGALR3NR2F2L3MBTL1
SCHEMBL4239341 0.89 HPGD (0.57) SMN1; SMN2KMT2AESR1MAPTMAPK10
SCHEMBL4246316 0.89 KMT2A (0.52) SMN1; SMN2NSD2KMT2AMAPTGALR3
SCHEMBL4239170 0.88 RAB9A (0.51) MAPTLMNAGSK3BADORA2AADORA1
SCHEMBL4243705 0.87 ROCK1 (0.50) SMN1; SMN2MAPTHPGDADORA2AADORA1
SCHEMBL4239188 0.86 HPGD (0.52) SMN1; SMN2MAPTLMNAHPGDTP53
SCHEMBL4246337 0.86 KLKB1 (0.44) SMN1; SMN2NSD2KMT2AESR1MAPT
SCHEMBL4241186 0.86 KMT2A (0.55) KMT2A
SCHEMBL4242338 0.85 EGLN1 (0.46) SMN1; SMN2NSD2KMT2AESR1MAPT
SCHEMBL4239959 0.85 SMN1; SMN2 (0.53) SMN1; SMN2NSD2KMT2AESR1MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US claimed
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP claimed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US claimed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO claimed
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-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 SMN1; SMN2 1971/4885NSD2 4080/4885KMT2A 4094/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP SMN1; SMN2 1971/4885NSD2 4080/4885KMT2A 4094/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP SMN1; SMN2 1971/4885NSD2 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.