SCHEMBL2276202

SCHEMBL2276202

N#Cc1ccc(Nc2ccc(OC(F)(F)F)cc2)c(N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
GAA P10253 4/20 0.61
KDM4E B2RXH2 3/20 0.61
IDH1 O75874 4/20 0.44
DHODH Q02127 1/20 0.43
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EPAS1 Q99814 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.41
GFER P55789 1/20 0.40

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
SCHEMBL5470709 0.81 DHODH (0.52) ALDH1A1GAAKDM4EIDH1DHODH
SCHEMBL4930961 0.79 CHRNA7 (0.46) ALDH1A1GAAKDM4EMAPTMEN1
SCHEMBL2278730 0.79 MERTK (0.53) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL30442837 0.78 GAA (0.61) ALDH1A1GAAKDM4EIDH1MAPT
SCHEMBL29014109 0.78 GAA (0.61) ALDH1A1GAAKDM4EIDH1MAPT
SCHEMBL12407368 0.77 KDM4E (0.71) ALDH1A1GAAKDM4EMAPTMEN1
SCHEMBL29642859 0.76 GAA (1.00) ALDH1A1GAAKDM4EMAPTMEN1
SCHEMBL13610402 0.76 GAA (1.00) ALDH1A1GAAKDM4EMAPTMEN1
SCHEMBL6141302 0.76 GAA (0.66) ALDH1A1GAAKDM4EDHODHMAPT
SCHEMBL16429815 0.76 GAA (0.60) ALDH1A1GAAKDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358202-B1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME (US) 2016-06-15 EP disclosed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
WO-2010051245-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-05-06 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-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES PAFAH1B3, PAFAH1B2, PAF1 ALDH1A1 854/4885GAA 2062/4885KDM4E 885/4885

“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.