SCHEMBL5337044

SCHEMBL5337044

O=[C]c1ccccc1-c1cnccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
ADRA1D P25100 1/20 0.43
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
METAP2 P50579 1/20 0.38
CYP2A6 P11509 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PIM1 P11309 2/20 0.36
DCTPP1 Q9H773 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CASP6 P55212 1/20 0.34
POLB P06746 2/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL10427641 0.82 ADRA1A (0.43) ADRA1AADRA1BADRA1DALOX5APFEN1
SCHEMBL30102602 0.82 ADRA1A (0.43) ADRA1AADRA1BADRA1DALOX5APFEN1
SCHEMBL29669833 0.82 ADRA1A (0.43) ADRA1AADRA1BADRA1DALOX5APFEN1
SCHEMBL946697 0.79 KDM4E (0.50) ADRA1AADRA1BADRA1DCYP2A6ALDH1A1
SCHEMBL12853973 0.78 ALOX5AP (0.50) ADRA1AADRA1BADRA1DALOX5APFEN1
SCHEMBL12853984 0.78 ALOX5AP (0.50) ADRA1AADRA1BADRA1DALOX5APFEN1
SCHEMBL11795254 0.73 CYP2A6 (0.50) CYP2A6ALDH1A1ALOX15MAPTKDM4E
SCHEMBL2556892 0.72 DCTPP1 (0.54) ADRA1AADRA1BADRA1DALOX5APFEN1
SCHEMBL4073407 0.72 ADRA1A (0.43) ADRA1AADRA1BADRA1DALOX5APFEN1
SCHEMBL3948877 0.72 IDO1 (0.48) ADRA1AADRA1BADRA1DALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007515442-A 2007-06-14 JP claimed
US-7183280-B2 Bicyclic imidazole derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-27 US claimed
EP-1709049-A1 BICYCLIC IMIDAZOLE COMPOUNDS, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-10-11 EP claimed
WO-2005063750-A1 BICYCLIC IMIDAZOLE COMPOUNDS, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 WO claimed
US-20050143377-A1 Bicyclic imidazole derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-30 US claimed
US-7183280-B2 Bicyclic imidazole derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-27 US disclosed
EP-1709049-A1 BICYCLIC IMIDAZOLE COMPOUNDS, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-10-11 EP disclosed
WO-2005063750-A1 BICYCLIC IMIDAZOLE COMPOUNDS, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 WO disclosed
US-20050143377-A1 Bicyclic imidazole derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-30 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-20050143377-A1 Bicyclic imidazole derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 ADRA1A 1129/4885ADRA1B 904/4885ADRA1D 555/4885

“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.