SCHEMBL2177085

SCHEMBL2177085

CC(C)(N[S+]([O-])C(C)(C)C)c1ccc(Nc2nc(Cl)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 3/20 0.45
MAPT P10636 7/20 0.41
HTT P42858 1/20 0.39
PIN1 Q13526 1/20 0.39
RPS6KB2 Q9UBS0 2/20 0.37
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MCL1 Q07820 1/20 0.35
PTK2B Q14289 1/20 0.35
MAPK1 P28482 3/20 0.35
HSF1 Q00613 1/20 0.35
GSK3B P49841 2/20 0.34
BRD4 O60885 2/20 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
SCHEMBL9983193 0.83 FGFR4 (0.52) FGFR4MAPTHTTPIN1RPS6KB2
SCHEMBL13570477 0.82 FGFR4 (0.54) FGFR4MAPTHTTPIN1RPS6KB2
SCHEMBL13570772 0.82 MAPT (0.51) FGFR4MAPTHTTPIN1RPS6KB2
Hydrochloric Acid SCHEMBL2175428 0.81 FGFR4 (0.53) FGFR4MAPTHTTPIN1RPS6KB2
SCHEMBL27894900 0.79 MAPT (0.46) FGFR4MAPTHTTPIN1RPS6KB2
SCHEMBL16739538 0.78 FGFR4 (0.65) FGFR4MAPTHTTPIN1CYP3A4
SCHEMBL2177090 0.78 MAPT (0.44) FGFR4MAPTHTTPIN1RPS6KB2
SCHEMBL2175624 0.77 FGFR4 (0.39) FGFR4MAPTHTTPIN1RPS6KB2
SCHEMBL718271 0.77 MAPT (0.51) FGFR4MAPTHTTPIN1RPS6KB2
SCHEMBL22719050 0.76 MAPT (0.54) FGFR4MAPTHTTPIN1RPS6KB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519522-B1 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE INC (US) 2014-09-24 EP disclosed
US-8501770-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2013-08-06 US disclosed
EP-2519522-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ArQule, Inc. (US) 2012-11-07 EP disclosed
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 US disclosed
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 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-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 FGFR4 845/4885MAPT 2905/4885HTT 939/4885

“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.