SCHEMBL2816478

SCHEMBL2816478

Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.43
CYP1A2 P05177 1/20 0.43
KCNH2 Q12809 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
TNIK Q9UKE5 1/20 0.43
PIK3CD O00329 3/20 0.41
HPGDS O60760 1/20 0.40
USP7 Q93009 1/20 0.37
MTOR P42345 3/20 0.37
IL2 P60568 1/20 0.37
TRPM4 Q8TD43 1/20 0.36
BACE1 P56817 2/20 0.36
BACE2 Q9Y5Z0 2/20 0.36
LTA4H P09960 2/20 0.36
CNR2 P34972 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35

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
SCHEMBL5029717 0.84 KDR (0.40) HPGDSUSP7TRPM4BACE1BACE2
SCHEMBL5550518 0.84 FEN1 (0.47) BACE1BACE2CCNCCDK8
SCHEMBL2811912 0.83 IL2 (0.48) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL2816477 0.82 GSK3B (0.41) MAP4K4PIK3CDHPGDSIL2TRPM4
SCHEMBL5270393 0.81 IL2 (0.40) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL5270390 0.77 IKBKB (0.47) IL2TRPM4BACE1BACE2
SCHEMBL5032075 0.76 PIK3CD (0.40) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL4496859 0.76 MAP4K4 (0.57) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL13838412 0.74 PIK3CD (0.50) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL5550512 0.74 GSK3B (0.40) MAP4K4IL2TRPM4BACE1BACE2

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 12 patents. 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 claimed
US-8710083-B2 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-04-29 US claimed
EP-1984338-B1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-01-16 EP claimed
US-20100249195-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-09-30 US claimed
EP-1984338-A2 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP claimed
US-20070254926-A1 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US claimed
WO-2007089904-A2 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-09 WO claimed
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
EP-1984338-B1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-01-16 EP disclosed
US-20100249195-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-09-30 US disclosed
US-20070254926-A1 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US 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 (3 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 MAP4K4 1791/4885CYP1A2 779/4885KCNH2 2341/4885
US-20140187586-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CXCR3, NLRP1 MAP4K4 1791/4885CYP1A2 779/4885KCNH2 2341/4885
US-20100249195-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CXCR3, NLRP1 MAP4K4 1791/4885CYP1A2 779/4885KCNH2 2341/4885

“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.