SCHEMBL16835948

SCHEMBL16835948

Nc1ccc(-c2ccc(C(F)(F)F)nc2)nn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.46
PIK3CA P42336 4/20 0.45
PI4KB Q9UBF8 2/20 0.45
MAP4K4 O95819 1/20 0.45
MINK1 Q8N4C8 1/20 0.45
PIK3CD O00329 2/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PIK3CG P48736 1/20 0.43
TRPV4 Q9HBA0 1/20 0.43
MTOR P42345 4/20 0.42
SCD O00767 2/20 0.40
ALOX5AP P20292 1/20 0.40
TRPV3 Q8NET8 1/20 0.40
HDAC4 P56524 1/20 0.39

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
SCHEMBL28021874 0.78 KCNH2 (0.50) KCNH2PIK3CAPI4KBMAP4K4MINK1
SCHEMBL16835808 0.77 JAK2 (0.44) PIK3CDALOX5AP
SCHEMBL17609694 0.75 TRPV3 (0.51) KCNH2PIK3CAPI4KBMAP4K4MINK1
SCHEMBL2131597 0.75 KIF11 (0.50) ALOX5AP
SCHEMBL16826205 0.74 PIK3CA (0.40) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL1023820 0.73 CA2 (0.41) PIK3CAPIK3CDTRPV4MTORALOX5AP
SCHEMBL28211548 0.73 TRPV4 (0.43) KCNH2PIK3CAPI4KBMAP4K4MINK1
SCHEMBL17609955 0.73 KCNH2 (0.52) KCNH2PIK3CAPI4KBMAP4K4MINK1
SCHEMBL23951820 0.73 PIK3CA (0.53) KCNH2PIK3CAPI4KBMAP4K4MINK1
SCHEMBL21716199 0.72 KCNH2 (0.48) KCNH2PIK3CAPI4KBMAP4K4MINK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981964-B2 Maleimide derivatives as modulators of wnt pathway AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-05-29 US disclosed
US-9981964-B2 Maleimide derivatives as modulators of wnt pathway AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-05-29 US disclosed
US-9981964-B2 Maleimide derivatives as modulators of wnt pathway AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-05-29 US disclosed
EP-3083622-B1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY SCIENCE TECH & RES (SG) 2018-03-21 EP disclosed
EP-3083622-B1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY SCIENCE TECH & RES (SG) 2018-03-21 EP disclosed
US-20160318926-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-11-03 US disclosed
US-20160318926-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-11-03 US disclosed
US-20160318926-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-11-03 US disclosed
EP-3083622-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY Agency For Science, Technology And Research (SG) 2016-10-26 EP disclosed
CN-106061974-A Maleimide derivatives as modulators of WNT pathway 新加坡科技研究局 2016-10-26 CN disclosed
WO-2015187094-A1 PHTHALIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-12-10 WO disclosed
WO-2015094118-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-06-25 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-20160318926-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY WNT1, WNT3, CTNNB1 KCNH2 2970/4885PIK3CA 3374/4885PI4KB 2633/4885

“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.