SCHEMBL16835839

SCHEMBL16835839

COc1cccc(-c2ccc(N)nn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ KDM1A O60341 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ MAOB P27338 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ DYRK1A Q13627 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ TDO2 P48775 1/20 0.48
▸ CYP3A4 P08684 1/20 0.47
▸ NOTUM Q6P988 1/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ TLR8 Q9NR97 1/20 0.45
▸ MKNK1 Q9BUB5 1/20 0.45
▸ MKNK2 Q9HBH9 1/20 0.45
▸ ATP4A P20648 1/20 0.45

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
SCHEMBL28994891 0.80 MAOB (0.50) KDM4EKMT2AKDM1AMAP4K4MAOB
SCHEMBL30310041 0.80 MAOB (0.50) KDM4EKMT2AKDM1AMAP4K4MAOB
SCHEMBL16835826 0.80 XDH (0.54) DYRK1A
SCHEMBL433756 0.79 MAPT (0.59) KDM4ENPC1RAB9ASMN1; SMN2DYRK1A
SCHEMBL16835888 0.79 CYP11B1 (0.47) CYP3A4BACE1MKNK1MKNK2
SCHEMBL10688611 0.78 MAP4K4 (0.53) KDM4EKMT2AMAP4K4BACE1TLR8
SCHEMBL19555117 0.78 MAOB (0.51) KDM4EKMT2AMAP4K4MAOBNPC1
SCHEMBL16826158 0.77 RAB9A (0.49) KDM4EKMT2AKDM1AMAP4K4NPC1
SCHEMBL31295947 0.75 DYRK1A (0.69) KDM4EMAP4K4MAOBNPC1RAB9A
SCHEMBL558582 0.75 ASIC3 (0.59) KDM4EKMT2AMAP4K4SMN1; SMN2DYRK1A

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 14 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-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 KDM4E 3685/4885KMT2A 3772/4885KDM1A 2730/4885

“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.

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