SCHEMBL2275698

SCHEMBL2275698

CC(C)c1nc2cc(C#N)ccc2n1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.48
IDH1 O75874 5/20 0.47
TRPV1 Q8NER1 1/20 0.45
NTRK1 P04629 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PIK3CD O00329 1/20 0.37
PDE2A O00408 1/20 0.37
ADRB3 P13945 1/20 0.37
TSPO P30536 1/20 0.37
GRM5 P41594 1/20 0.37
KCNH2 Q12809 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
GPR35 Q9HC97 1/20 0.37
ACLY P53396 1/20 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
SCHEMBL12374601 0.82 TRPV1 (0.51) TRPV1L3MBTL1USP2ALDH1A1LMNA
SCHEMBL13749774 0.81 TRPV1 (0.49) TDP2TRPV1L3MBTL1USP2ALDH1A1
SCHEMBL2281814 0.79 SMN1; SMN2 (0.55) IDH1
SCHEMBL201174 0.67 TRPA1 (0.53) TDP2NTRK1POLBALDH1A1NPSR1
SCHEMBL31466313 0.67 TDP2 (0.45) TDP2IDH1NTRK1ACLYFNTA
SCHEMBL22022198 0.66 ACLY (0.55) TDP2IDH1NTRK1SIGMAR1ACLY
SCHEMBL20644538 0.65 S1PR1 (0.46) ALDH1A1LMNA
SCHEMBL19280856 0.65 HCAR1 (0.51) TDP2IDH1ALDH1A1
SCHEMBL13816736 0.65 ALDH1A1 (0.51) TDP2L3MBTL1USP2ALDH1A1LMNA
SCHEMBL21221874 0.65 TDP2 (1.00) TDP2

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
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-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 TDP2 2913/4885IDH1 4594/4885TRPV1 13/4885

“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.