SCHEMBL20524463

SCHEMBL20524463

COc1ccc(C(=O)C2CCCN2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
MAPK1 P28482 1/20 0.52
DPP4 P27487 3/20 0.50
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.48
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
KDM2B Q8NHM5 3/20 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
SCHEMBL28322872 0.84 KMT2A (0.47) NPC1RAB9ADPP4ALDH1A1GAA
SCHEMBL28321868 0.84 KMT2A (0.47) NPC1RAB9ADPP4ALDH1A1GAA
SCHEMBL10903756 0.82 DPP4 (0.47) NPC1RAB9AMAPK1DPP4ALDH1A1
SCHEMBL28322880 0.82 MEN1 (0.54) NPC1RAB9AALDH1A1KMT2APOLB
SCHEMBL27623273 0.80 ELANE (0.43) KMT2AHRH2HRH1CA1CA2
SCHEMBL29131652 0.79 ELANE (0.40) DPP4HRH2HRH1
SCHEMBL18589371 0.79 MGLL (0.44) ALDH1A1CES2CES1KDM2B
SCHEMBL18607990 0.79 MGLL (0.44) ALDH1A1CES2CES1KDM2B
SCHEMBL7416214 0.79 HSD11B1 (0.44) NPC1RAB9AALDH1A1POLBCES2
SCHEMBL12361339 0.79 MGLL (0.44) ALDH1A1CES2CES1KDM2B

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
CN-112574235-B RET inhibitor, pharmaceutical composition and application thereof 广东东阳光药业股份有限公司 2024-01-16 CN disclosed
EP-3601232-B1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED 2-AMINOIMIDAZOLES CURZA GLOBAL LLC (US) 2022-11-23 EP disclosed
US-20220274949-A1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED 2-AMINOIMIDAZOLES CURZA GLOBAL, LLC (US) 2022-09-01 US disclosed
US-11339140-B2 Compositions and methods comprising substituted 2-aminoimidazoles CURZA GLOBAL, LLC (US) 2022-05-24 US disclosed
US-11339140-B2 Compositions and methods comprising substituted 2-aminoimidazoles CURZA GLOBAL, LLC (US) 2022-05-24 US disclosed
CN-112574236-A RET inhibitor, pharmaceutical composition and application thereof 广东东阳光药业有限公司 2021-03-30 CN disclosed
CN-112574235-A RET inhibitor, pharmaceutical composition and application thereof 广东东阳光药业有限公司 2021-03-30 CN disclosed
CN-112442050-A RET inhibitor, pharmaceutical composition and application thereof 广东东阳光药业有限公司 2021-03-05 CN disclosed
EP-3601232-A1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED 2-AMINOIMIDAZOLES Curza Global LLC (US) 2020-02-05 EP disclosed
WO-2018184019-A1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED 2-AMINOIMIDAZOLES CURZA GLOBAL, LLC (US) 2018-10-04 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 (2 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-20220274949-A1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED 2-AMINOIMIDAZOLES AADAC, PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 NPC1 2167/4885RAB9A 2436/4885MAPK1 4497/4885
US-11339140-B2 Compositions and methods comprising substituted 2-aminoimidazoles AADAC, PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 NPC1 2167/4885RAB9A 2436/4885MAPK1 4497/4885

“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.