SCHEMBL2824893

SCHEMBL2824893

O=Cc1cc(OC(F)(F)F)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 4/20 0.42
FFAR4 Q5NUL3 5/20 0.40
FFAR1 O14842 2/20 0.40
CES1 P23141 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GMNN O75496 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
SLC6A2 P23975 1/20 0.38
SCN4A P35499 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
SCHEMBL2534012 0.86 ERN1 (0.43) FFAR4FFAR1SCN5AERN1KIF11
SCHEMBL2366445 0.85 PDE2A (0.44) GPR3FFAR4FFAR1CES1NPC1
SCHEMBL6500895 0.81 GPR3 (0.42) GPR3CES1NPC1RAB9AGMNN
SCHEMBL16950604 0.81 GPR3 (0.42) GPR3FFAR4FFAR1NPC1RAB9A
SCHEMBL16955162 0.81 GPR3 (0.42) GPR3FFAR4FFAR1CES1NPC1
SCHEMBL17822065 0.80 GPR3 (0.41) GPR3FFAR4CES1NPC1RAB9A
SCHEMBL1211619 0.80 ERN1 (0.61) GPR3ERN1EPHX2
SCHEMBL6201722 0.80 FFAR4 (0.41) GPR3FFAR4FFAR1CES1NPC1
SCHEMBL29627452 0.80 ERN1 (0.61) GPR3ERN1EPHX2
SCHEMBL6092323 0.80 NPC1 (0.44) GPR3FFAR4CES1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260034111-A1 NOVEL HETEROCYCLES AS sPLA2-X INHIBITORS CAYMAN CHEMICAL COMPANY INCORPORATED (US) 2026-02-05 US disclosed
US-20250197390-A1 FUSED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2025-06-19 US disclosed
EP-4561991-A1 NOVEL HETEROCYCLES AS SPLA2-X INHIBITORS Cayman Chemical Company, Inc. (US) 2025-06-04 EP disclosed
US-20250074909-A1 AMINOTRIAZOLOPYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2025-03-06 US disclosed
EP-4495119-A1 FUSED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2025-01-22 EP disclosed
US-12172975-B2 1H-indazole carboxamides as receptor-interacting protein kinase 1 inhibitors (RIPK1) BRISTOL-MYERS SQUIBB COMPANY (US) 2024-12-24 US disclosed
US-12157733-B2 Aminotriazolopyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-12-03 US disclosed
WO-2024222614-A1 HETEROCYCLIC GSPT1 DEGRADATION AGENT 北京诺诚健华医药科技有限公司 2024-10-31 WO disclosed
CN-112673000-B 1H-indazole carboxamides as receptor interacting protein kinase 1 inhibitors (RIPK 1) 百时美施贵宝公司 2024-10-18 CN disclosed
CN-118647617-A Fused heterocyclic compound, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-09-13 CN disclosed
CN-101287738-A Imidazo benzodiazepine derivatives HOFFMANN LA ROCHE (CH) 2008-10-15 CN disclosed
US-7432256-B2 Substitued imidazo [1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMAN-LA ROCHE INC. (US) 2008-10-07 US disclosed
EP-1937688-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP disclosed
EP-1828194-B1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS HOFFMANN LA ROCHE (CH) 2008-05-28 EP disclosed
CN-101115756-A Tetracyclic imidazo-benzodiazepines * as GABA receptor modulators HOFFMANN LA ROCHE (CH) 2008-01-30 CN disclosed
EP-1828194-A1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS F. Hoffmann-Roche AG (CH) 2007-09-05 EP disclosed
WO-2007042421-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 WO disclosed
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2007-04-12 US disclosed
WO-2006063708-A1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO disclosed
US-20060128691-A1 Substituted imidazo[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. 2006-06-15 US 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 (7 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-20260034111-A1 NOVEL HETEROCYCLES AS sPLA2-X INHIBITORS PLA2G2F, PLA2R1, PLA2G12A GPR3 1321/4885FFAR4 1193/4885FFAR1 501/4885
US-12172975-B2 1H-indazole carboxamides as receptor-interacting protein kinase 1 inhibitors (RIPK1) RIPK1, RIPK3, RIPK2 GPR3 729/4885FFAR4 1508/4885FFAR1 600/4885
US-20060128691-A1 Substituted imidazo[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives GABRA3, GABRA5, GABRA1 GPR3 50/4885FFAR4 277/4885FFAR1 174/4885
US-20250197390-A1 FUSED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF RIPK1, RIPK4, MLKL GPR3 3884/4885FFAR4 1595/4885FFAR1 1176/4885
US-20250074909-A1 AMINOTRIAZOLOPYRIDINES AS KINASE INHIBITORS RIPK1, RIPK3, RIPK4 GPR3 1039/4885FFAR4 1874/4885FFAR1 1418/4885
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 GPR3 174/4885FFAR4 462/4885FFAR1 363/4885
US-12157733-B2 Aminotriazolopyridines as kinase inhibitors RIPK1, RIPK3, RIPK4 GPR3 1039/4885FFAR4 1874/4885FFAR1 1418/4885

“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.