SCHEMBL2092399

SCHEMBL2092399

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)C(C)C)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
ADORA3 P0DMS8 2/20 0.44
SCN10A Q9Y5Y9 1/20 0.43
LIMK1 P53667 1/20 0.41
LIMK2 P53671 1/20 0.41
DYRK1A Q13627 2/20 0.40
BRD4 O60885 4/20 0.40
ATAD2 Q6PL18 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDR P35968 2/20 0.39
CLK2 P49760 2/20 0.39
HIPK4 Q8NE63 2/20 0.39
SRPK1 Q96SB4 2/20 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
SCHEMBL2091922 0.91 NPC1 (0.43) ALDH1A1LMNAMAPTADORA3DYRK1A
SCHEMBL2091072 0.89 MET (0.42) ADORA3DYRK1ABRD4SMN1; SMN2NPC1
SCHEMBL2092406 0.89 FGFR1 (0.42) ALDH1A1DYRK1ABRD4SMN1; SMN2NPC1
SCHEMBL2093393 0.88 BRD4 (0.49) ALDH1A1LMNAMAPTDYRK1ABRD4
SCHEMBL2092597 0.88 ALDH1A1 (0.43) ALDH1A1DYRK1ABRD4SMN1; SMN2NPC1
SCHEMBL2093412 0.86 ABL1 (0.52) MAPTADORA3NPC1RAB9AHSD17B10
SCHEMBL2094420 0.85 DEGS1 (0.44) ALDH1A1LMNAFGFR1
SCHEMBL2096491 0.85 ADORA3 (0.46) ALDH1A1LMNAMAPTADORA3DYRK1A
SCHEMBL2093370 0.84 DEGS1 (0.45) LMNAMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL2095105 0.84 MEN1 (0.48) ALDH1A1LMNAKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004626-A2 BENZIMIDAZOLYL-PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-24 EP claimed
US-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US claimed
WO-2007112093-A2 BENZIMIDAZOLYL-PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-10-04 WO claimed
US-8163777-B2 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-04-24 US disclosed
US-8163777-B2 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-04-24 US disclosed
US-8163777-B2 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-04-24 US disclosed
EP-2004626-A2 BENZIMIDAZOLYL-PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-24 EP disclosed
US-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
US-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
US-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
WO-2007112093-A2 BENZIMIDAZOLYL-PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-10-04 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 (1 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-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses NLRP3, CXCR1, CXCR2 ALDH1A1 2568/4885LMNA 3912/4885MAPT 1930/4885

“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.