SCHEMBL3397660

SCHEMBL3397660

C=C1OB(c2cnn(C)c2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35

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
SCHEMBL13100015 0.82 FFAR1 (0.43) FFAR1
SCHEMBL13361532 0.81 FFAR1 (0.32) FFAR1
SCHEMBL10280195 0.81 FFAR1 (0.43) FFAR1
SCHEMBL12826986 0.80 FFAR1 (0.37) FFAR1
SCHEMBL9888234 0.79 FFAR1 (0.39) FFAR1
SCHEMBL12309941 0.79 FFAR1 (0.39) FFAR1
SCHEMBL12568451 0.79 JAK2 (0.37) FFAR1
SCHEMBL9888279 0.77 JAK1 (0.33)
SCHEMBL12512953 0.77 HRH4 (0.36) FFAR1
SCHEMBL19520632 0.76 FFAR1 (0.55) FFAR1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-20120225057-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-09-06 US disclosed
US-8178552-B2 7-Azaindole derivatives and their use in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-05-15 US disclosed
WO-2012061342-A2 SUBSTITUTED BENZO-IMIDAZO-PYRIDO-DIAZEPINE COMPOUNDS ARQULE, INC. (US) 2012-05-10 WO disclosed
US-20120046289-A1 Pyridazine Carboxamide Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2012-02-23 US disclosed
WO-2012000595-A1 2,4- DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2012-01-05 WO disclosed
WO-2011006567-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2011-01-20 WO disclosed
US-20100311750-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-12-09 US disclosed
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-24 US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 US disclosed
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 US disclosed
WO-2009150381-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-12-17 WO disclosed
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 US disclosed
WO-2008009435-A1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2008-01-24 WO disclosed
WO-2007132308-A1 TRIAZOLOPYRAZINE DERIVATIVES USEFUL AS ANTI-CANCER AGENTS PFIZER PRODUCTS INC. (US) 2007-11-22 WO disclosed
US-20070155746-A1 NOVEL SUBSTITUTED PYRIDINYLOXY AND PYRIMIDINYLOXY AMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 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 (9 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-20120225057-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES ABL1, MCL1, ABL2 FFAR1 4144/4885
US-20090286790-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 FFAR1 214/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 FFAR1 2887/4885
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB FFAR1 3390/4885
US-20070155746-A1 NOVEL SUBSTITUTED PYRIDINYLOXY AND PYRIMIDINYLOXY AMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES BRAF, ARAF, RAF1 FFAR1 1202/4885
US-20120046289-A1 Pyridazine Carboxamide Orexin Receptor Antagonists HCRTR2, HCRTR1, NPY5R FFAR1 335/4885
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE4A, PDE7A, PDE4D FFAR1 2444/4885
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPK13, MAPKAPK5 FFAR1 3388/4885
US-20100311750-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 FFAR1 284/4885

“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.