SCHEMBL16835945

SCHEMBL16835945

COc1ccc(-c2ccc(N)cn2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
CYP11B1 P15538 1/20 0.49
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
BRCA1 P38398 1/20 0.46
HBB P68871 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP2A6 P11509 2/20 0.46
CYP19A1 P11511 1/20 0.46
KCNH2 Q12809 2/20 0.45
NNMT P40261 1/20 0.45
PIK3CA P42336 2/20 0.44
PIK3CD O00329 1/20 0.44
PIP5K1C O60331 1/20 0.44
PIK3CB P42338 1/20 0.44
PI4KA P42356 1/20 0.44
PIK3CG P48736 1/20 0.44

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
SCHEMBL29536663 0.85
SCHEMBL113293 0.85
Formaldehyde SCHEMBL28810279 0.83 KDM4E (0.53) MKNK1MKNK2KDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL5649941 0.83 KDM4E (0.56) MKNK1MKNK2KDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL5645807 0.83 KDM4E (0.56) MKNK1MKNK2KDM4EMEN1ALDH1A1
SCHEMBL30578438 0.82 MKNK1 (0.62) MKNK1MKNK2KDM4EMEN1ALDH1A1
SCHEMBL3077045 0.82 MKNK1 (0.62) MKNK1MKNK2KDM4EMEN1ALDH1A1
SCHEMBL12072506 0.81 CCR1 (0.52) MKNK1MKNK2CYP11B1MEN1KMT2A
SCHEMBL15416110 0.79 MKNK1 (0.51) MKNK1MKNK2CYP2A6CYP19A1KCNH2
SCHEMBL1551351 0.79 RXFP1 (0.57) CYP11B1KDM4EMEN1ALDH1A1BRCA1

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-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
EP-3083622-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY Agency For Science, Technology And Research (SG) 2016-10-26 EP 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
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 MKNK1 867/4885MKNK2 1181/4885CYP11B1 43/4885

“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.