SCHEMBL1845121

SCHEMBL1845121

Cc1ccccc1CNc1ncc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
PPARG P37231 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
HIF1A Q16665 1/20 0.42
ELANE P08246 1/20 0.42
ADRA2C P18825 4/20 0.41
ADRA2A P08913 3/20 0.41
ADRA1D P25100 3/20 0.41
ADRA1A P35348 3/20 0.41
ADRA1B P35368 3/20 0.41
TAAR1 Q96RJ0 2/20 0.41
HTT P42858 2/20 0.41
MAP4K4 O95819 1/20 0.41
CHRM2 P08172 1/20 0.40
DCTPP1 Q9H773 1/20 0.40
BRD4 O60885 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
KCNN3 Q9UGI6 1/20 0.39

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
SCHEMBL12660195 0.84 TAAR1 (0.46) ADRA2CADRA2AADRA1DADRA1AADRA1B
SCHEMBL1846323 0.82 TAAR1 (0.54) ADRA2CADRA2AADRA1DADRA1AADRA1B
SCHEMBL12140062 0.81 KDM4C (0.47) LMNAHIF1AADRA2CADRA2AADRA1D
SCHEMBL1844758 0.81 ADRA2A (0.54) LMNAADRA2CADRA2AADRA1DADRA1A
SCHEMBL1846157 0.81 MEN1 (0.45) LMNAADRA2CADRA2AADRA1DADRA1A
SCHEMBL1848615 0.80 HSD17B10 (0.58) LMNARXFP1HIF1AALDH1A1MAPK1
SCHEMBL13898857 0.79 PPARG (0.42) PPARGRXFP1NR2E3NCOR2ADRA2C
SCHEMBL13898666 0.79 NTRK1 (0.42) ADRA2CADRA2AADRA1DADRA1AADRA1B
SCHEMBL1846409 0.78 ADRA2A (0.56) LMNAADRA2CADRA2AALDH1A1
SCHEMBL23107884 0.76 TAAR1 (0.51) ADRA2CADRA2ATAAR1HTTCHRM2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146634-A1 2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-06-19 US claimed
US-8338412-B2 Inhibitors of P38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-25 US disclosed
US-8338412-B2 Inhibitors of P38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-25 US disclosed
CN-101557810-B Novel 2 -imidazoles as ligands for trace amine associated receptors (taar) HOFFMANN LA ROCHE 2012-11-21 CN disclosed
US-20110281878-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 US disclosed
US-20110281878-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 US disclosed
US-7951809-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 US disclosed
US-7951809-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 US 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-20090203702-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-13 US disclosed
EP-2036891-A2 Isoquinoline inhibitors of P38 Vertex Pharmaceuticals Incorporated (US) 2009-03-18 EP disclosed
EP-1414455-B1 ISOQUINOLINE INHIBITORS OF P38 VERTEX PHARMA (US) 2008-11-26 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
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
US-7205305-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-17 US disclosed
US-7205305-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-17 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 (3 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-20110281878-A1 INHIBITORS OF p38 MAPK1, MAPK3, MAP3K1 LMNA 2007/4885PPARG 2330/4885RXFP1 3332/4885
US-20090203702-A1 INHIBITORS OF p38 MAPK1, MAPK3, MAP3K1 LMNA 2007/4885PPARG 2330/4885RXFP1 3332/4885
US-20080146634-A1 2-IMIDAZOLES ABL1, H1-2, IPO4 LMNA 1410/4885PPARG 1111/4885RXFP1 2543/4885

“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.