SCHEMBL454031

SCHEMBL454031

O=C(Nc1ccc(-c2cc(C(F)(F)F)ccc2Cl)nc1)c1c(F)cccc1F

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IL2 P60568 2/20 0.71
TLR7 Q9NYK1 3/20 0.54
KCNQ3 O43525 3/20 0.51
KCNQ2 O43526 3/20 0.51
KCNE1 P15382 3/20 0.51
KCNQ1 P51787 3/20 0.51
TLR8 Q9NR97 7/20 0.51
KCNQ5 Q9NR82 1/20 0.50
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RORC P51449 1/20 0.47
TRPA1 O75762 2/20 0.46
KIT P10721 2/20 0.46
CRACR2A Q9BSW2 1/20 0.46

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
SCHEMBL13133446 0.88 KCNQ3 (0.53) IL2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL5555339 0.87 IL2 (0.71) IL2TLR7KCNQ3KCNQ2KCNE1
SCHEMBL5554499 0.85 IL2 (0.62) IL2TLR7TLR8RORC
SCHEMBL439071 0.85 IL2 (0.50) IL2KCNQ3KCNQ2KCNE1KCNQ1
Hydrochloric Acid SCHEMBL5554268 0.84 IL2 (0.61) IL2TLR7TLR8RORC
SCHEMBL1827507 0.83 IL2 (1.00) IL2TLR7TLR8GAAMAPT
SCHEMBL5550492 0.82 IL2 (0.63) IL2TLR7TLR8GAAMAPT
SCHEMBL13133468 0.81 IL2 (0.52) IL2TLR7TLR8RAB9AKIT
SCHEMBL5554173 0.81 IL2 (0.71) IL2TLR7KCNQ3KCNQ2KCNE1
SCHEMBL17244758 0.81 IL2 (0.59) IL2TLR7KCNQ3KCNQ2KCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187586-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-07-03 US claimed
US-20100249195-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-09-30 US claimed
US-20070254926-A1 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US claimed
US-20140187586-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-07-03 US disclosed
US-20140187586-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-07-03 US disclosed
US-8710083-B2 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-04-29 US disclosed
US-8710083-B2 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-04-29 US disclosed
US-8710083-B2 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-04-29 US disclosed
EP-1984338-B1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-01-16 EP disclosed
EP-1984338-B1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-01-16 EP disclosed
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 US disclosed
US-20100249195-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-09-30 US disclosed
US-20100249195-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-09-30 US disclosed
US-20100249195-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-09-30 US disclosed
EP-1984338-A2 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
US-20070254926-A1 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
US-20070254926-A1 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
US-20070254926-A1 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
WO-2007089904-A2 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-09 WO disclosed
WO-2007089904-A2 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-09 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 (4 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-20070254926-A1 Pyridylphenyl compounds for inflammation and immune-related uses CCR1, CXCR3, NLRP1 IL2 77/4885TLR7 18/4885KCNQ3 1271/4885
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES IL5, CXCR3, TSLP IL2 24/4885TLR7 55/4885KCNQ3 2354/4885
US-20140187586-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CXCR3, NLRP1 IL2 77/4885TLR7 18/4885KCNQ3 1271/4885
US-20100249195-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CXCR3, NLRP1 IL2 77/4885TLR7 18/4885KCNQ3 1271/4885

“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.