SCHEMBL2091629

SCHEMBL2091629

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccccc2I)nc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 2/20 0.40
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
GAA P10253 2/20 0.40
MITF O75030 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
RXFP1 Q9HBX9 2/20 0.39
F10 P00742 2/20 0.39
MET P08581 5/20 0.39
IGF1R P08069 4/20 0.39
KDR P35968 4/20 0.39
SCN9A Q15858 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AHR P35869 1/20 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
SCHEMBL2094199 0.91 KMT2A (0.51) PTK2BRAB9ANPC1GAAMITF
SCHEMBL2093347 0.91 NPC1 (0.46) RAB9ANPC1GAAMITFTP53
SCHEMBL2092578 0.90 RAB9A (0.43) PTK2BRAB9ANPC1GAAMITF
SCHEMBL2093431 0.90 KMT2A (0.45) RAB9ANPC1GAAMITFTP53
SCHEMBL2093725 0.88 TACR3 (0.44) RAB9ANPC1GAAKMT2AMEN1
SCHEMBL2095007 0.87 RAB9A (0.41) PTK2BRAB9ANPC1GAAMITF
SCHEMBL2095151 0.87 RAB9A (0.49) RAB9ANPC1GAAMAPTKMT2A
SCHEMBL2092178 0.87 KMT2A (0.40) PTK2BRAB9ANPC1GAAMITF
SCHEMBL2094420 0.86 DEGS1 (0.44) GAAKMT2AMEN1RXFP1F10
SCHEMBL2092593 0.86 NPC1 (0.44) RAB9ANPC1GAATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163777-B2 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-04-24 US claimed
US-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US 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 PTK2B 1271/4885RAB9A 642/4885NPC1 1500/4885

“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.