SCHEMBL2813674

SCHEMBL2813674

COC(=O)c1ccc(Cl)c(-c2ccc(NC(=O)c3ccncc3Cl)nc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.47
ABCC1 P33527 2/20 0.47
IKBKE Q14164 1/20 0.46
TBK1 Q9UHD2 1/20 0.46
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 2/20 0.43
CYP2C19 P33261 2/20 0.43
DEGS1 O15121 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F10 P00742 1/20 0.42
FGFR3 P22607 1/20 0.42
ABL1 P00519 3/20 0.42
MEN1 O00255 3/20 0.42

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
SCHEMBL2812397 0.92 ABCB1 (0.45) ABCB1ABCC1IKBKETBK1CSNK2A2
SCHEMBL2812847 0.91 ABCB1 (0.47) ABCB1ABCC1IKBKETBK1CSNK2A2
SCHEMBL15853486 0.85 RAB9A (0.53) ABCB1ABCC1RAB9ANPC1TP53
SCHEMBL2814273 0.83 NPC1 (0.58) RAB9ANPC1DEGS1TP53ALOX15
SCHEMBL2818756 0.83 DEGS1 (0.57) RAB9ANPC1CYP2C19DEGS1TP53
SCHEMBL5028489 0.82 ALDH1A1 (0.56) RAB9ANPC1CYP2C19DEGS1TP53
SCHEMBL13170834 0.82 ABCB1 (0.44) ABCB1ABCC1RAB9ANPC1SMN1; SMN2
SCHEMBL2815982 0.80 SCN10A (0.53) RAB9ANPC1CYP2C19DEGS1TP53
SCHEMBL5028435 0.79 PIK3CD (0.46) RAB9ANPC1CYP2C19DEGS1TP53
SCHEMBL2815969 0.79 IL2 (0.49) RAB9ANPC1CYP2C19DEGS1TP53

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 19 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-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-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-20100249195-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-09-30 US disclosed
US-20100249195-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-09-30 US 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

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 ABCB1 630/4885ABCC1 554/4885IKBKE 1129/4885
US-20140187586-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CXCR3, NLRP1 ABCB1 630/4885ABCC1 554/4885IKBKE 1129/4885
US-20100249195-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CXCR3, NLRP1 ABCB1 630/4885ABCC1 554/4885IKBKE 1129/4885

“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.