SCHEMBL10187750

SCHEMBL10187750

COc1cc2c(cc1CO)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2cccc(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 1/20 0.39
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
THRB P10828 1/20 0.38
KDR P35968 6/20 0.38
IDO1 P14902 1/20 0.38
MET P08581 3/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
CRACR2A Q9BSW2 2/20 0.37
AXL P30530 2/20 0.37
GRM4 Q14833 1/20 0.37
TP53 P04637 1/20 0.37
IDH1 O75874 2/20 0.36

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
SCHEMBL2092855 0.92 KDR (0.44) UGCGMAPTSMN1; SMN2THRBKDR
SCHEMBL15000662 0.91 CRACR2A (0.41) UGCGMAPTSMN1; SMN2IDO1NPC1
SCHEMBL27717122 0.84 KDR (0.52) MAPTSMN1; SMN2THRBKDRMET
SCHEMBL2091845 0.84 NPC1 (0.44) KDRNPC1RAB9ACRACR2ATP53
SCHEMBL2095265 0.84 NPC1 (0.44) MAPTSMN1; SMN2KDRNPC1RAB9A
SCHEMBL13001539 0.84 CRACR2A (0.41) UGCGMAPTSMN1; SMN2IDO1NPC1
SCHEMBL15000646 0.84 CRACR2A (0.41) UGCGMAPTSMN1; SMN2IDO1NPC1
SCHEMBL2095424 0.83 MAPT (0.44) UGCGMAPTSMN1; SMN2IDO1NPC1
SCHEMBL2092336 0.82 CRACR2A (0.42) UGCGMAPTSMN1; SMN2IDO1NPC1
SCHEMBL2091639 0.81 ALDH1A1 (0.42) UGCGMAPTSMN1; SMN2NPC1HPGD

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 2 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 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 UGCG 2989/4885MAPT 1930/4885SMN1; SMN2 4630/4885

“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.