SCHEMBL16014242

SCHEMBL16014242

Nc1nc(Nc2cc(Cl)cc(Cl)c2)no1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
STK17A Q9UEE5 2/20 0.41
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EPAS1 Q99814 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
SLC6A2 P23975 1/20 0.34
PDE4A P27815 1/20 0.34
KDR P35968 1/20 0.34
GFER P55789 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL16014245 0.85 HDAC3 (0.48) MAPTRAPGEF4ALOX5
SCHEMBL11080475 0.81 MEN1 (0.53) MAPTSTK17AGAAMEN1KMT2A
SCHEMBL11078558 0.77 POLA1 (0.50) STK17ARAPGEF4
SCHEMBL17403482 0.73 MAPT (0.52) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL16023771 0.73 MAPT (0.46) MAPTSTK17AMEN1KMT2ARAPGEF4
SCHEMBL11089778 0.70 SMN1; SMN2 (0.53) MAPTGAAMEN1KMT2A
SCHEMBL8524268 0.70 MAPT (0.51) MAPTMEN1KMT2AADORA3SLC6A2
SCHEMBL11088916 0.70 RAB9A (0.53) MAPTGAAMEN1KMT2A
SCHEMBL23643491 0.70 NFKB1 (0.57) MAPTMEN1KMT2AALDH1A1
SCHEMBL11083592 0.69 HDAC3 (0.40) MAPTGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382218-B2 N-heteroaryl substituted aniline derivatives as HCV-antivirals HOFFMANN-LA ROCHE INC. (US) 2016-07-05 US claimed
EP-2964620-A1 N-HETEROARYL SUBSTITUTED ANILINE DERIVATIVES AS HCV-ANTIVIRALS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP claimed
US-20160000763-A1 N-HETEROARYL SUBSTITUTED ANILINE DERIVATIVES AS HCV-ANTIVIRALS HOFFMANN-LA ROCHE INC. 2016-01-07 US claimed
WO-2014135423-A1 N-HETEROARYL SUBSTITUTED ANILINE DERIVATIVES AS HCV-ANTIVIRALS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO claimed
US-9382218-B2 N-heteroaryl substituted aniline derivatives as HCV-antivirals HOFFMANN-LA ROCHE INC. (US) 2016-07-05 US disclosed
US-9382218-B2 N-heteroaryl substituted aniline derivatives as HCV-antivirals HOFFMANN-LA ROCHE INC. (US) 2016-07-05 US disclosed
US-9382218-B2 N-heteroaryl substituted aniline derivatives as HCV-antivirals HOFFMANN-LA ROCHE INC. (US) 2016-07-05 US disclosed
EP-2964620-A1 N-HETEROARYL SUBSTITUTED ANILINE DERIVATIVES AS HCV-ANTIVIRALS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
US-20160000763-A1 N-HETEROARYL SUBSTITUTED ANILINE DERIVATIVES AS HCV-ANTIVIRALS HOFFMANN-LA ROCHE INC. 2016-01-07 US disclosed
US-20160000763-A1 N-HETEROARYL SUBSTITUTED ANILINE DERIVATIVES AS HCV-ANTIVIRALS HOFFMANN-LA ROCHE INC. 2016-01-07 US disclosed
US-20160000763-A1 N-HETEROARYL SUBSTITUTED ANILINE DERIVATIVES AS HCV-ANTIVIRALS HOFFMANN-LA ROCHE INC. 2016-01-07 US disclosed
WO-2014135423-A1 N-HETEROARYL SUBSTITUTED ANILINE DERIVATIVES AS HCV-ANTIVIRALS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed
WO-2014135423-A1 N-HETEROARYL SUBSTITUTED ANILINE DERIVATIVES AS HCV-ANTIVIRALS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 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 (1 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-20160000763-A1 N-HETEROARYL SUBSTITUTED ANILINE DERIVATIVES AS HCV-ANTIVIRALS HAVCR2, UGT1A1, UGT1A3 MAPT 4404/4885STK17A 3983/4885GAA 330/4885

“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.