Sugi Predict

Sugi Predict / Compounds / SCHEMBL2175437

SCHEMBL2175437

SCHEMBL2175437

CCOC(=O)c1cn(-c2ccc(F)cc2)cn1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.67
▸ GABRA2 P47869 2/20 0.57
▸ GABRB2 P47870 2/20 0.57
▸ NPC1 O15118 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ CHRNA7 P36544 2/20 0.45
▸ POLB P06746 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ SLC5A1 P13866 1/20 0.42
▸ SLC5A2 P31639 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL4974663 0.94 NOTUM (0.60) NOTUMGABRA2GABRB2NPC1LMNA
SCHEMBL21639372 0.86 NOTUM (0.67) NOTUMGABRA2GABRB2NPC1LMNA
SCHEMBL1873413 0.86 NOTUM (0.67) NOTUMGABRA2GABRB2NPC1LMNA
SCHEMBL9827288 0.86 NOTUM (0.74) NOTUMGABRA2GABRB2NPC1LMNA
SCHEMBL2229747 0.86 NOTUM (0.66) NOTUMGABRA2GABRB2NPC1LMNA
SCHEMBL24208352 0.85 NOTUM (0.62) NOTUMGABRA2GABRB2NPC1RAB9A
SCHEMBL9464330 0.85 NOTUM (0.65) NOTUMGABRA2GABRB2NPC1RAB9A
SCHEMBL4977770 0.84 NOTUM (0.48) NOTUMGABRA2GABRB2NPC1LMNA
SCHEMBL16178534 0.83 NOTUM (0.62) NOTUMGABRA2GABRB2MAPTALDH1A1
SCHEMBL1873105 0.83 NOTUM (0.62) NOTUMGABRA2GABRB2LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282502-B1 IMIDAZOLE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1991-05-15 — — EP claimed
US-4952698-A Imidazole derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1990-08-28 — — US claimed
WO-2021110574-A1 ALKYNYL-(HETEROARYL)-CARBOXAMIDE HCN1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2021-06-10 — — WO disclosed
US-8481548-B2 2-[4-(2-chloro-pyridin-4-ylethynyl)-2-methyl-imidazol-1-yl]-4-trifluoromethyl-pyrimidine; metabotropic glutamate (mGluR5) receptor antagonist; analgesic, neurodegenerative diseases; psychosis, epilepsy, schizophrenia, Alzheimer' disease, cognititve disorders, memory deficits, chronic and acute pain HOFFMAN-LA ROCHE INC. (US) 2013-07-09 — — US disclosed
US-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-02-14 — — US disclosed
WO-2011098904-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2011-08-18 — — WO disclosed
US-7973165-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-05 — — US disclosed
US-7531529-B2 Imidazole derivatives ROCHE PALO ALTO LLC (US) 2009-05-12 — — US disclosed
EP-1606277-B8 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-10-15 — — EP disclosed
US-20080200519-A1 TETRAHYDRONAPHTHALENYLAMIDES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AG (DE) 2008-08-21 — — US disclosed
WO-2008098798-A1 TETRAHYDRONAPHTHALENYLAMIDES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-21 — — WO disclosed
US-7153874-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-12-26 — — US disclosed
EP-1636206-A1 IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 — — EP disclosed
EP-1606277-A1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-12-21 — — EP disclosed
US-20050143375-A1 Imidazole derivatives ROCHE PALO ALTO LLC 2005-06-30 — — US disclosed
WO-2004108701-A1 IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-12-16 — — WO disclosed
US-20040248888-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-12-09 — — US disclosed
US-20040229917-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 — — US disclosed
WO-2004080998-A1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 — — WO disclosed
US-4952698-A Imidazole derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1990-08-28 — — 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 (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-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 NOTUM 4663/4885GABRA2 4785/4885GABRB2 4556/4885
US-20040229917-A1 Imidazole derivatives GRIK4, GRIA4, GRIK5 NOTUM 4247/4885GABRA2 137/4885GABRB2 273/4885
US-20040248888-A1 Imidazole derivatives GRIK5, GRM5, GRIN2B NOTUM 1676/4885GABRA2 55/4885GABRB2 67/4885
US-20080200519-A1 TETRAHYDRONAPHTHALENYLAMIDES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS PTGES, PTGS1, PTGS2 NOTUM 886/4885GABRA2 2476/4885GABRB2 2216/4885
US-20050143375-A1 Imidazole derivatives GRM5, GRIK5, GRM2 NOTUM 3088/4885GABRA2 139/4885GABRB2 106/4885

“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.