Sugi Predict

Sugi Predict / Compounds / SCHEMBL2870631

SCHEMBL2870631

SCHEMBL2870631

O=C=NC(F)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 3/20 0.38
▸ CYP2D6 P10635 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ DPP4 P27487 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ TRPA1 O75762 1/20 0.32

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
SCHEMBL5052780 0.77 MIF (0.57) MIFDPP4F2TSHRTRPA1
SCHEMBL165792 0.76 MIF (0.40) MIFCYP2D6SRCLMNADPP4
SCHEMBL134389 0.76 MIF (0.40) MIFCYP2D6SRCLMNADPP4
SCHEMBL20146 0.76 MIF (0.40) MIFCYP2D6SRCLMNADPP4
SCHEMBL43325 0.76 SRC (0.42) MIFCYP2D6SRCLMNAMAPK1
SCHEMBL27749125 0.74 MIF (0.39) MIFCYP2D6SRCLMNADPP4
SCHEMBL1205494 0.74 MIF (0.39) MIFCYP2D6SRCLMNADPP4
SCHEMBL2289039 0.73 MIF (0.38) MIFCYP2D6SRCLMNADPP4
SCHEMBL4392961 0.73 TSHR (0.44) MIFCYP2D6SRCLMNADPP4
SCHEMBL7980 0.73 MIF (0.63) MIFCYP2D6LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103450204-B Pyrroles [2,1-f] [1,2,4] triazin compound, Preparation Method And The Use 中国科学院上海药物研究所 2016-08-17 — — CN disclosed
US-8362045-B2 5,6-diaryl pyridines substituted in the 2- and 3-position, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-01-29 — — US disclosed
EP-2262508-A2 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES Edison Pharmaceuticals, Inc. (US) 2010-12-22 — — EP disclosed
US-20100256202-A1 5,6-DIARYL PYRIDINES SUBSTITUTED IN THE 2- AND 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-10-07 — — US disclosed
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 — — US disclosed
EP-2209768-A1 5,6-DIARYL PYRIDINES SUBSTITUTED IN THE 2- AND 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-07-28 — — EP disclosed
WO-2009111576-A2 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2009-09-11 — — WO disclosed
CN-101489551-A Aminoindazole urea derivatives MERCK PATENT GMBH (DE) 2009-07-22 — — CN disclosed
WO-2009087285-A1 5,6-DIARYL PYRIDINES SUBSTITUTED IN THE 2- AND 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-07-16 — — WO disclosed
US-20070179297-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-08-02 — — US disclosed
US-7238811-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-07-03 — — US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 — — US disclosed
US-7179922-B2 4-Phenyloxypiperidionopiperidine compounds as antiinflammatory agents; autoimmune diseases; rheumatic diseases; cardiovascular disorders ASTRAZENECA AB (SE) 2007-02-20 — — US disclosed
EP-1661898-A1 BICYCLIC PIPERAZINE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-31 — — EP disclosed
US-20060040957-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY 2006-02-23 — — US disclosed
US-20050171092-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2005-08-04 — — US disclosed
US-6903115-B2 Bipiperidine compounds ASTRAZENECA AB (SE) 2005-06-07 — — US disclosed
EP-1088813-B1 Urethane group containing photoinitiators for cationic curing GOLDSCHMIDT AG TH (DE) 2003-12-03 — — EP disclosed
US-6380277-B1 AS POLYMERIZATION CATALYST, USED FOR THE RADIATION CURING OF CATIONICALLY CURING FORMULATIONS GOLDSCHMIDT AG (DE) 2002-04-30 — — US disclosed
EP-1088813-A2 Urethane group containing photoinitiators for cationic curing Goldschmidt AG (DE) 2001-04-04 — — EP 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-20060040957-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS MMP13, MMP25, MMP15 MIF 897/4885CYP2D6 850/4885SRC 1871/4885
US-20100256202-A1 5,6-DIARYL PYRIDINES SUBSTITUTED IN THE 2- AND 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF ALK, ROS1, CYP11B2 MIF 4330/4885CYP2D6 47/4885SRC 731/4885
US-20050171092-A1 Chemical compounds CCR3, CCR1, CCR4 MIF 55/4885CYP2D6 1133/4885SRC 3945/4885
US-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 MIF 4325/4885CYP2D6 2309/4885SRC 2039/4885
US-20070179297-A1 Chemical compounds CCR3, CCR1, CCR4 MIF 55/4885CYP2D6 1133/4885SRC 3945/4885

“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.