SCHEMBL450085

SCHEMBL450085

O=C(Nc1ccc(-c2cc(-c3nccs3)ccc2Cl)nc1)c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.46
S1PR1 P21453 1/20 0.46
BRAF P15056 2/20 0.44
KDR P35968 2/20 0.44
PTGES O14684 1/20 0.44
GRM4 Q14833 2/20 0.43
PTPRC P08575 1/20 0.42
MALT1 Q9UDY8 1/20 0.42
MCL1 Q07820 1/20 0.42
TRPM4 Q8TD43 1/20 0.41
ABL1 P00519 1/20 0.41
SRC P12931 1/20 0.41
PTGS1 P23219 1/20 0.40

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
SCHEMBL437874 0.87 CYP3A4 (0.48) PTGESGRM4MCL1TRPM4
SCHEMBL2813597 0.83 IL2 (0.48) KDRABL1SRC
Hydrochloric Acid SCHEMBL2814061 0.82 IL2 (0.48) KDRABL1SRC
SCHEMBL2817873 0.81 PPARG (0.44) MCL1TRPM4
SCHEMBL437873 0.73 SMN1; SMN2 (0.55) GRM4TRPM4ABL1
SCHEMBL6110099 0.73 STIM1 (0.51) MCL1ABL1
SCHEMBL449981 0.73 IL2 (0.46) PTGESABL1
SCHEMBL2813632 0.72 MCL1 (0.44) MCL1ABL1
SCHEMBL2814289 0.72 IL2 (0.49) KDRABL1SRC
SCHEMBL4767857 0.71 IL2 (0.61) KDRABL1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 US claimed
EP-2182808-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2010-05-12 EP claimed
WO-2009017819-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 WO claimed
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 US disclosed
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 US disclosed
EP-2182808-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2010-05-12 EP disclosed
WO-2009017819-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 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 (1 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-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES IL5, CXCR3, TSLP YTHDC1 3725/4885S1PR1 410/4885BRAF 2588/4885

“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.