SCHEMBL5030845

SCHEMBL5030845

Cc1ccc(-c2ncco2)cc1-c1ccc(NCCO)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IL2 P60568 4/20 0.48
LTA4H P09960 2/20 0.43
PIK3CD O00329 4/20 0.42
PIK3CG P48736 3/20 0.42
MAPK14 Q16539 1/20 0.39
RAF1 P04049 7/20 0.38
BRAF P15056 2/20 0.38
PIK3C3 Q8NEB9 2/20 0.37
PIK3CB P42338 2/20 0.37
ALDH1A1 P00352 1/20 0.37
P2RX7 Q99572 1/20 0.37

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
SCHEMBL5033044 0.84 IL2 (0.42) IL2LTA4HPIK3CDPIK3CGMAPK14
SCHEMBL8232402 0.83 IL2 (0.44) IL2LTA4HPIK3CDPIK3CGMAPK14
SCHEMBL8231075 0.82 IL2 (0.43) IL2LTA4HPIK3CDPIK3CGMAPK14
SCHEMBL8235247 0.82 IL2 (0.41) IL2LTA4HPIK3CDPIK3CGMAPK14
SCHEMBL5033036 0.81 IL2 (0.45) IL2LTA4HPIK3CDPIK3CGMAPK14
Hydrochloric Acid SCHEMBL5032039 0.81 IL2 (0.43) IL2LTA4HPIK3CDPIK3CGMAPK14
SCHEMBL5030724 0.80 IL2 (0.50) IL2PIK3CDPIK3CGMAPK14ALDH1A1
SCHEMBL5033022 0.80 IL2 (0.48) IL2LTA4HPIK3CDPIK3CGMAPK14
SCHEMBL5034885 0.80 IL2 (0.48) IL2LTA4HPIK3CDPIK3CGMAPK14
SCHEMBL8232687 0.80 IL2 (0.45) IL2LTA4HPIK3CDPIK3CGMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 US claimed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US claimed
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-01 US disclosed
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-01 US disclosed
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 US disclosed
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 US disclosed
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 US disclosed
EP-1998612-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-10 EP disclosed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
WO-2007087442-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO disclosed
WO-2007087442-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 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 (2 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-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses CCR1, CCR3, CXCR2 IL2 5/4885LTA4H 122/4885PIK3CD 3534/4885
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR3, CXCR2 IL2 5/4885LTA4H 122/4885PIK3CD 3534/4885

“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.