SCHEMBL3153245

SCHEMBL3153245

O=C(NCc1ccccc1)c1ccc2[nH]cnc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
ADORA3 P0DMS8 1/20 0.59
ADORA2A P29274 1/20 0.59
ADORA2B P29275 1/20 0.59
ADORA1 P30542 1/20 0.59
CASP6 P55212 1/20 0.57
PLAU P00749 1/20 0.56
ALDH1A1 P00352 3/20 0.54
GAA P10253 1/20 0.54
MAPK3 P27361 1/20 0.53
MAPK1 P28482 1/20 0.53
IMPDH2 P12268 1/20 0.52
NAMPT P43490 1/20 0.52
HDAC2 Q92769 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.50
QPCT Q16769 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL12316322 0.89 POLB (0.51) POLBADORA3ADORA2AADORA2BADORA1
SCHEMBL6784014 0.89 NR1H4 (0.55) POLBADORA3ADORA2AADORA2BADORA1
SCHEMBL13373317 0.88 POLB (0.61) POLBCASP6GAAMAPK3MAPK1
SCHEMBL13373328 0.87 POLB (0.63) POLBCASP6ALDH1A1NAMPTQPCT
SCHEMBL13373334 0.87 L3MBTL1 (0.64) POLBMAPK3MAPK1NAMPTHDAC2
SCHEMBL12267780 0.87 POLB (0.49) POLBADORA3ADORA2AADORA2BADORA1
SCHEMBL5305972 0.87 L3MBTL1 (0.57) POLBALDH1A1GAAMAPK1NAMPT
SCHEMBL13373327 0.87 MMP13 (0.54) POLBCASP6ALDH1A1L3MBTL1LMNA
SCHEMBL22419551 0.86 NAMPT (0.57) POLBCASP6NAMPTHDAC2HDAC8
SCHEMBL13373392 0.84 RAB9A (0.61) POLBCASP6ALDH1A1NAMPTL3MBTL1

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
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
EP-1511742-B1 KINASE INHIBITORS CYTOPIA RES PTY LTD (AU) 2010-02-03 EP disclosed
EP-1511742-B1 KINASE INHIBITORS CYTOPIA RES PTY LTD (AU) 2010-02-03 EP disclosed
US-7598272-B2 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2009-10-06 US disclosed
US-7598272-B2 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2009-10-06 US disclosed
US-7598272-B2 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2009-10-06 US disclosed
US-7511047-B2 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2009-03-31 US disclosed
US-7511047-B2 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2009-03-31 US disclosed
US-7259179-B2 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2007-08-21 US disclosed
US-7259179-B2 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2007-08-21 US disclosed
US-20070161635-A1 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2007-07-12 US disclosed
US-20070161635-A1 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2007-07-12 US disclosed
US-20060270687-A1 Kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2006-11-30 US disclosed
US-20060241112-A1 Such as n-(4-fluorobenzyl)-6-(4-methyl-1H-imidazol-1-yl)pyrazin-2-amine; protein kinase associated disease states YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2006-10-26 US disclosed
EP-1511742-A1 KINASE INHIBITORS Cytopia PTY Ltd (AU) 2005-03-09 EP disclosed
US-20050004140-A1 Kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2005-01-06 US disclosed
WO-2003099811-A1 KINASE INHIBITORS CYTOPIA PTY LTD (AU) 2003-12-04 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 (4 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-20060270687-A1 Kinase inhibitors MAP3K20, MAP3K1, MAP3K19 POLB 2185/4885ADORA3 4557/4885ADORA2A 4126/4885
US-20060241112-A1 Such as n-(4-fluorobenzyl)-6-(4-methyl-1H-imidazol-1-yl)pyrazin-2-amine; protein kinase associated disease states MAP4K2, MAP4K5, MAP4K4 POLB 2480/4885ADORA3 4101/4885ADORA2A 3217/4885
US-20050004140-A1 Kinase inhibitors MAP3K20, MAP3K1, MAP3K19 POLB 2185/4885ADORA3 4557/4885ADORA2A 4126/4885
US-20070161635-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K10 POLB 1788/4885ADORA3 4500/4885ADORA2A 4083/4885

“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.