SCHEMBL5031519

SCHEMBL5031519

CCCC(=O)Nc1ccc(-c2cc(-c3nccs3)ccc2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ TP53 P04637 4/20 0.50
▸ MAPT P10636 4/20 0.50
▸ MAPK14 Q16539 1/20 0.48
▸ PORCN Q9H237 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ ABL1 P00519 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ RAB9A P51151 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CASP3 P42574 2/20 0.43

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
SCHEMBL5030737 0.91 ADORA2A (0.51) ADORA2ACYP2C19MAPTMAPK14PORCN
SCHEMBL5028509 0.89 ADORA2A (0.53) ADORA2ACYP2C19TP53MAPTPORCN
SCHEMBL5031542 0.89 ADORA2A (0.53) ADORA2ACYP2C19TP53MAPTPORCN
SCHEMBL5030678 0.88 ADORA2A (0.52) ADORA2ACYP2C19TP53MAPTPORCN
SCHEMBL5033002 0.88 ADORA2A (0.52) ADORA2ACYP2C19TP53MAPTPORCN
SCHEMBL5028466 0.86 PTGDR2 (0.52) ADORA2ACYP2C19TP53MAPTPORCN
SCHEMBL5030575 0.82 KCNB1 (0.52) ADORA2APORCNALDH1A1ABL1RAB9A
SCHEMBL5033015 0.81 ABL1 (0.47) MAPK14PORCNABL1PTGDR2
SCHEMBL5127917 0.80 ADORA2A (0.51) ADORA2ACYP2C19MAPTPORCNALDH1A1
SCHEMBL5034918 0.80 PORCN (0.52) ADORA2ACYP2C19MAPTPORCNALDH1A1

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-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 ADORA2A 229/4885CYP2C19 399/4885TP53 605/4885
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR3, CXCR2 ADORA2A 229/4885CYP2C19 399/4885TP53 605/4885

“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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