SCHEMBL3034589

SCHEMBL3034589

CC1CCn2c(nc3ccccc32)[C@@H](N)C1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.36
GRM2 Q14416 1/20 0.36
KCNH2 Q12809 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL7685732 0.79 USP2 (0.44) HTTMEN1KMT2AUSP2BCHE
SCHEMBL28915706 0.79 USP2 (0.44) HTTMEN1KMT2AUSP2BCHE
SCHEMBL30842142 0.73 TAAR1 (0.44) HTTUSP2TAAR1KCNH2TSHR
SCHEMBL28594881 0.73 MEN1 (0.46) HTTMEN1KMT2AUSP2BCHE
SCHEMBL16796869 0.72 BCHE (0.63) HTTMEN1KMT2AUSP2BCHE
SCHEMBL28573258 0.70 KCNH2 (0.41) USP2TAAR1ALDH1A1GAAGRM2
SCHEMBL28581918 0.69 USP2 (0.51) HTTMEN1KMT2AUSP2TAAR1
SCHEMBL28587695 0.69 USP2 (0.51) HTTMEN1KMT2AUSP2TAAR1
SCHEMBL28914856 0.69 MEN1 (0.42) HTTMEN1KMT2AUSP2TAAR1
SCHEMBL8810696 0.67 BCHE (0.52) MEN1KMT2AUSP2BCHEACHE

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
EP-2173747-B1 A REGIOSELECTIVE METAL CATALYZED SYNTHESIS OF ANNELATED BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2011-12-21 EP claimed
US-20100216988-A1 Regioselective metal catalyzed synthesis of annelated benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2010-08-26 US claimed
EP-2173747-B1 A REGIOSELECTIVE METAL CATALYZED SYNTHESIS OF ANNELATED BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2011-12-21 EP disclosed
US-20100216988-A1 Regioselective metal catalyzed synthesis of annelated benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2010-08-26 US disclosed
EP-2173747-A1 A REGIOSELECTIVE METAL CATALYZED SYNTHESIS OF ANNELATED BENZIMIDAZOLES AND AZABENZIMIDAZOLES Sanofi-Aventis (FR) 2010-04-14 EP disclosed
WO-2009000412-A1 A REGIOSELECTIVE METAL CATALYZED SYNTHESIS OF ANNELATED BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI AVENTIS (FR) 2008-12-31 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-20100216988-A1 Regioselective metal catalyzed synthesis of annelated benzimidazoles and azabenzimidazoles AZI2, NIT2, NISCH HTT 3742/4885MEN1 699/4885KMT2A 377/4885

“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.