SCHEMBL8235133

SCHEMBL8235133

Cc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)[C@@H](N)C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CIT O14578 11/20 0.53
IL2 P60568 2/20 0.45
AAK1 Q2M2I8 1/20 0.41
MAPK14 Q16539 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CG P48736 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDR P35968 1/20 0.38

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
SCHEMBL5034913 1.00 CIT (0.53) CITIL2AAK1MAPK14PIK3CD
SCHEMBL5031529 0.91 CIT (0.51) CITIL2MAPK14PIK3CDPIK3CG
SCHEMBL8232850 0.90 CIT (0.56) CITIL2AAK1MAPK14PIK3CD
SCHEMBL8235013 0.89 IL2 (0.46) CITIL2MAPK14PIK3CDPIK3CG
SCHEMBL5034941 0.89 RAB9A (0.48) IL2MAPK14NPC1USP2ALDH1A1
SCHEMBL5030643 0.87 CIT (0.46) CITIL2AAK1PIK3CDPIK3CG
SCHEMBL8235106 0.87 CIT (0.58) CITAAK1
SCHEMBL5030724 0.83 IL2 (0.50) IL2MAPK14PIK3CDPIK3CGNPC1
SCHEMBL5034885 0.82 IL2 (0.48) IL2MAPK14PIK3CDPIK3CGTAAR1
SCHEMBL5032975 0.82 CIT (0.43) CITIL2AAK1MAPK14PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 CIT 2537/4885IL2 5/4885AAK1 1300/4885
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR3, CXCR2 CIT 2537/4885IL2 5/4885AAK1 1300/4885

“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.