SCHEMBL942003

SCHEMBL942003

Nc1cccc(-c2nnco2)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.64
MECP2 P51608 1/20 0.56
MAP4K4 O95819 1/20 0.50
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
ATAD2 Q6PL18 1/20 0.46
POLB P06746 1/20 0.46
MAOA P21397 1/20 0.45
TLR8 Q9NR97 1/20 0.45
GAA P10253 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
SCHEMBL21795694 0.86 NOTUM (0.75) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL11232897 0.79 NOTUM (0.74) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL859977 0.78 NOTUM (0.64) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL3794714 0.78 NOTUM (0.64) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL1016310 0.78 NOTUM (0.64) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL23451501 0.78 NOTUM (1.00) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL31291162 0.78 NOTUM (0.64) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL21776860 0.78 NOTUM (1.00) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL3809272 0.78 NOTUM (0.64) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL11252964 0.77 NOTUM (0.43) NOTUMMECP2MAP4K4ALDH1A1TLR8

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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12116358-B2 Substituted indoles and methods of use thereof Epizyme, Inc. (US) 2024-10-15 US disclosed
WO-2023101326-A1 NOVEL COMPOUND AS AUTOTAXIN INHIBITOR AND USE THEREOF 주식회사 넥스트젠바이오사이언스 2023-06-08 WO disclosed
US-20230075198-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. 2023-03-09 US disclosed
WO-2023022497-A1 SOS1 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-02-23 WO disclosed
CN-114829496-A Composition, curable composition, and cured product 大金工业株式会社 2022-07-29 CN disclosed
US-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds PHARMAKEA, INC. (US) 2022-05-31 US disclosed
CN-113784999-A Fluorine-containing epoxy resin for electrical material and method for producing same 大金工业株式会社 2021-12-10 CN disclosed
EP-3858824-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2021-08-04 EP disclosed
EP-3858824-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2021-08-04 EP disclosed
EP-3837240-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2021-06-23 EP disclosed
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-01-10 US disclosed
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-01-10 US disclosed
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-01-10 US disclosed
EP-2454250-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2012-05-23 EP disclosed
WO-2011008709-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-20 WO disclosed
WO-2011008709-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-20 WO disclosed
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 US disclosed
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 US disclosed
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 US disclosed
WO-2008103351-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2008-08-28 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 (5 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-12116358-B2 Substituted indoles and methods of use thereof CCNE1, CCNE2, FOXM1 NOTUM 2798/4885MECP2 4728/4885MAP4K4 3484/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 NOTUM 4512/4885MECP2 3851/4885MAP4K4 120/4885
US-20230075198-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF FOXM1, CCNE2, CCNE1 NOTUM 3071/4885MECP2 4556/4885MAP4K4 3576/4885
US-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds BAX, BAD, BCL2 NOTUM 3838/4885MECP2 3163/4885MAP4K4 134/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 NOTUM 4500/4885MECP2 3771/4885MAP4K4 115/4885

“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.