SCHEMBL16014348

SCHEMBL16014348

Nc1nc(Nc2cccc(C(F)(F)F)c2)no1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 6/20 0.61
MAPT P10636 4/20 0.60
LMNA P02545 2/20 0.60
KDM4E B2RXH2 1/20 0.60
AURKA O14965 2/20 0.55
MAPK1 P28482 1/20 0.55
KIF11 P52732 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
APP P05067 2/20 0.51
CTSC P53634 2/20 0.51

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
SCHEMBL30568865 0.80 MAPT (0.83) IDH2MAPTLMNAKDM4EAURKA
SCHEMBL28449187 0.80 MAPT (0.83) IDH2MAPTLMNAKDM4EAURKA
SCHEMBL16014245 0.78 HDAC3 (0.48) IDH2MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL17403482 0.76 MAPT (0.52) MAPTKDM4EAURKAMAPK1ALDH1A1
SCHEMBL28159939 0.75 MAPT (0.63) IDH2MAPTLMNAKDM4EAURKA
SCHEMBL15094876 0.75 KDM4E (1.00) IDH2MAPTLMNAKDM4EAURKA
SCHEMBL1391440 0.75 MAPT (1.00) IDH2MAPTLMNAKDM4EAURKA
SCHEMBL28458395 0.75 IDH2 (0.86) IDH2MAPTLMNAKDM4EMAPK1
SCHEMBL30568833 0.75 IDH2 (1.00) IDH2MAPTLMNAAURKAMAPK1
SCHEMBL394991 0.75 KIF11 (0.70) IDH2MAPTLMNAKDM4EAURKA

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 IDH2 1004/4885MAPT 4404/4885LMNA 3154/4885

“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.