SCHEMBL440985

SCHEMBL440985

Cc1ccc(-c2ccno2)cc1-c1ccc(N)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.47
PIK3CB P42338 5/20 0.47
PIK3CG P48736 4/20 0.47
ABL1 P00519 3/20 0.45
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NOTUM Q6P988 1/20 0.38
CYP1A2 P05177 3/20 0.38
CYP19A1 P11511 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAP4K4 O95819 2/20 0.38
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
TNIK Q9UKE5 1/20 0.38
TDO2 P48775 2/20 0.37
FEN1 P39748 2/20 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
SCHEMBL5550530 0.84 FEN1 (0.50) PIK3CDPIK3CBPIK3CGFEN1
SCHEMBL4764281 0.82 NOTUM (0.42) PIK3CDPIK3CBPIK3CGABL1KDM4E
SCHEMBL5275247 0.80 KDM4E (0.38) PIK3CDPIK3CBPIK3CGABL1KDM4E
SCHEMBL5030816 0.78 KDM4E (0.38) PIK3CDPIK3CBPIK3CGKDM4EALDH1A1
SCHEMBL4504756 0.77 ABL1 (0.68) ABL1TDO2FEN1EIF2AK3
SCHEMBL5029743 0.76 ESR1 (0.37) PIK3CDPIK3CBPIK3CGKDM4EALDH1A1
SCHEMBL2811912 0.75 IL2 (0.48) PIK3CDPIK3CGABL1CYP1A2MAP4K4
SCHEMBL5275242 0.75 IKBKB (0.41) PIK3CDPIK3CBPIK3CGKDM4EALDH1A1
SCHEMBL5550528 0.74 IL2 (0.41) PIK3CDPIK3CBPIK3CGKDM4EALDH1A1
SCHEMBL29541595 0.73 NOTUM (0.52) KDM4EALDH1A1GAASMN1; SMN2NOTUM

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187586-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-07-03 US disclosed
US-20140187586-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-07-03 US disclosed
US-20140187586-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-07-03 US disclosed
US-8710083-B2 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-04-29 US disclosed
US-8710083-B2 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-04-29 US disclosed
US-8710083-B2 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-04-29 US disclosed
EP-1984338-B1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-01-16 EP disclosed
EP-1984338-B1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-01-16 EP disclosed
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
US-20100249195-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-09-30 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
WO-2009017819-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 WO disclosed
EP-1984338-A2 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
US-20070254926-A1 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
US-20070254926-A1 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
US-20070254926-A1 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
WO-2007089904-A2 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-09 WO disclosed
WO-2007089904-A2 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-09 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 (4 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-20070254926-A1 Pyridylphenyl compounds for inflammation and immune-related uses CCR1, CXCR3, NLRP1 PIK3CD 2115/4885PIK3CB 2069/4885PIK3CG 2188/4885
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES IL5, CXCR3, TSLP PIK3CD 2173/4885PIK3CB 1618/4885PIK3CG 1880/4885
US-20140187586-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CXCR3, NLRP1 PIK3CD 2115/4885PIK3CB 2069/4885PIK3CG 2188/4885
US-20100249195-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CXCR3, NLRP1 PIK3CD 2115/4885PIK3CB 2069/4885PIK3CG 2188/4885

“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.