SCHEMBL1844588

SCHEMBL1844588

Clc1cccc(CNc2ncc[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.51
CDC7 O00311 2/20 0.50
DBF4 Q9UBU7 1/20 0.50
TMIGD3 P0DMS9 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
FABP4 P15090 1/20 0.48
ADRA2A P08913 1/20 0.47
ADRA2C P18825 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAOB P27338 1/20 0.45
HTR6 P50406 1/20 0.45
KCNN3 Q9UGI6 1/20 0.45
EGFR P00533 2/20 0.44

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
SCHEMBL1843509 0.82 CYP1A2 (0.47) CDC7KCNN3HIF1AKMT2A
SCHEMBL1845674 0.82 DYRK1A (0.50) CDC7DBF4ADRA2AADRA2CADRA1D
SCHEMBL1845716 0.81 POLB (0.51) FABP4ADRA2AADRA2CADRA1DADRA1A
SCHEMBL1847393 0.80 SMN1; SMN2 (0.51) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL1845617 0.80 PTGES (0.46) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL1848506 0.78 ADRA2A (0.50) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL1846887 0.78 HDAC3 (0.49) CDC7HDAC3HDAC1HDAC2HDAC6
SCHEMBL1845396 0.78 ADRA2A (0.62) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL21556897 0.77 TAAR1 (0.39) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL1844265 0.77 PIM1 (0.49) GRM4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101557810-B Novel 2 -imidazoles as ligands for trace amine associated receptors (taar) HOFFMANN LA ROCHE 2012-11-21 CN claimed
EP-2101762-B1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) HOFFMANN LA ROCHE (CH) 2011-05-18 EP claimed
CN-101557810-A Novel 2 -imidazoles as ligands for trace amine associated receptors (taar) HOFFMANN LA ROCHE (CH) 2009-10-14 CN claimed
EP-2101762-A1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) F. Hoffmann-Roche AG (CH) 2009-09-23 EP claimed
WO-2008071574-A1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 WO claimed
US-20080146634-A1 2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-06-19 US claimed
CN-101557810-B Novel 2 -imidazoles as ligands for trace amine associated receptors (taar) HOFFMANN LA ROCHE 2012-11-21 CN disclosed
EP-2101762-B1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) HOFFMANN LA ROCHE (CH) 2011-05-18 EP disclosed
US-7858653-B2 2-imidazoles HOFFMAN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-7858653-B2 2-imidazoles HOFFMAN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-7858653-B2 2-imidazoles HOFFMAN-LA ROCHE INC. (US) 2010-12-28 US disclosed
CN-101557810-A Novel 2 -imidazoles as ligands for trace amine associated receptors (taar) HOFFMANN LA ROCHE (CH) 2009-10-14 CN disclosed
EP-2101762-A1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) F. Hoffmann-Roche AG (CH) 2009-09-23 EP disclosed
WO-2008071574-A1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 WO disclosed
US-20080146634-A1 2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-06-19 US disclosed
US-20080146634-A1 2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-06-19 US disclosed
US-20080146634-A1 2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-06-19 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-20080146634-A1 2-IMIDAZOLES ABL1, H1-2, IPO4 GRM4 3686/4885CDC7 4021/4885DBF4 4038/4885

“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.