SCHEMBL30593116

SCHEMBL30593116

Cc1nc(Cl)cc(OCc2ccccc2)c1C(O)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 3/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ GRM5 P41594 3/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ PTGER1 P34995 4/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL26601889 1.00 MAPK1 (0.46) MAPK1KMT2ARAB9AGRM5MCL1
SCHEMBL26601883 0.80 HTT (0.44) MAPK1MCL1STAT3HTTSMN1; SMN2
SCHEMBL30593159 0.80 HTT (0.44) MAPK1MCL1STAT3HTTSMN1; SMN2
SCHEMBL30593154 0.78 ABCB1 (0.43) KMT2ARAB9AGRM5MCL1PTGER1
SCHEMBL26601782 0.78 ABCB1 (0.43) KMT2ARAB9AGRM5MCL1PTGER1
SCHEMBL31517782 0.74 HTT (0.47) MAPK1MCL1STAT3HTTSMN1; SMN2
SCHEMBL18792157 0.74 MAPK1 (0.56) MAPK1KMT2ARAB9AGRM5CASP3
SCHEMBL26601636 0.74 HTT (0.44) MAPK1MCL1PTGER1STAT3HTT
SCHEMBL26601602 0.74 SMN1; SMN2 (0.44) MAPK1RAB9AMCL1PTGER1STAT3
SCHEMBL4781292 0.71 HTT (0.54) MAPK1GRM5MCL1STAT3HTT

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
CN-119546580-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-02-28 — — CN disclosed
EP-4511115-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 — — EP disclosed
EP-4511117-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 — — EP disclosed
WO-2023205465-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 — — WO disclosed
WO-2023205468-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 — — WO disclosed
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