SCHEMBL5033015

SCHEMBL5033015

C=CC(=O)Nc1ccc(-c2cc(-c3nccs3)ccc2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.47
▸ TGM2 P21980 3/20 0.45
▸ EPHB4 P54760 4/20 0.43
▸ TEK Q02763 3/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ PORCN Q9H237 1/20 0.42
▸ KDR P35968 2/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ MAPK14 Q16539 2/20 0.40
▸ SMO Q99835 1/20 0.40
▸ EGFR P00533 2/20 0.40
▸ ITK Q08881 2/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ HDAC2 Q92769 1/20 0.39
▸ ENPP3 O14638 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39

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
SCHEMBL5115420 0.87 PTGDR2 (0.43) TGM2TEKPTGDR2PORCNKDR
SCHEMBL5028514 0.87 PORCN (0.45) TGM2PTGDR2PORCNFLT3CHEK2
SCHEMBL5034923 0.86 TGM2 (0.45) ABL1TGM2PTGDR2PORCNFLT3
SCHEMBL5030718 0.86 PTGDR2 (0.42) EPHB4TEKPTGDR2PORCNKDR
SCHEMBL5031534 0.86 PTGDR2 (0.50) TGM2PTGDR2PORCNEGFR
SCHEMBL5030737 0.83 ADORA2A (0.51) ABL1PTGDR2PORCNCHEK2MAPK14
SCHEMBL5030575 0.83 KCNB1 (0.52) ABL1PTGDR2PORCNCHEK2
SCHEMBL5031519 0.81 ADORA2A (0.53) ABL1PTGDR2PORCNMAPK14
SCHEMBL8260461 0.79 ABL1 (0.41) ABL1PTGDR2PORCNKDRCHEK2
SCHEMBL4764710 0.78 IL2 (0.58) ABL1PORCN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1998612-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-10 — — EP claimed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 — — US claimed
WO-2007087442-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 — — WO 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-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

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 ABL1 1502/4885TGM2 3499/4885EPHB4 2441/4885
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR3, CXCR2 ABL1 1502/4885TGM2 3499/4885EPHB4 2441/4885

“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.

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