SCHEMBL2093667

SCHEMBL2093667

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)C2CCC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.48
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ADORA3 P0DMS8 2/20 0.44
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DEGS1 O15121 2/20 0.41
GSK3B P49841 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 1/20 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
SCHEMBL2092674 0.98 ABL1 (0.48) ABL1KMT2AMEN1ADORA3NPC1
SCHEMBL2093412 0.96 ABL1 (0.52) ABL1KMT2AMEN1ADORA3NPC1
SCHEMBL646571 0.88 ABL1 (0.48) ABL1KMT2AMEN1ADORA3TP53
SCHEMBL2091072 0.87 MET (0.42) ADORA3NPC1RAB9A
SCHEMBL2092363 0.86 TP53 (0.49) KMT2AMEN1ADORA3TP53HSD17B10
SCHEMBL2092406 0.86 FGFR1 (0.42) ABL1NPC1TP53RAB9AMTNR1A
SCHEMBL645418 0.86 ABL1 (0.48) ABL1KMT2AMEN1ADORA3TP53
SCHEMBL2092512 0.85 TP53 (0.48) KMT2AMEN1ADORA3NPC1TP53
SCHEMBL2092597 0.85 ALDH1A1 (0.43) NPC1TP53RAB9A
SCHEMBL647015 0.85 ADORA3 (0.47) ABL1KMT2AMEN1ADORA3TP53

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 6 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-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
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

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 ABL1 2111/4885KMT2A 3619/4885MEN1 3217/4885

“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.