SCHEMBL3265692

SCHEMBL3265692

Nc1cc(-c2c(-c3ccccc3)nc3n2CCS3)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.56
FLT1 P17948 1/20 0.54
KDR P35968 1/20 0.54
TEK Q02763 1/20 0.54
MAPK13 O15264 3/20 0.53
MAPK12 P53778 3/20 0.53
MAPK11 Q15759 3/20 0.53
KDM4E B2RXH2 4/20 0.52
TDP1 Q9NUW8 2/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TGFBR1 P36897 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL3262794 0.93 MAPK14 (0.49) MAPK14FLT1KDRTEKMAPK13
SCHEMBL2845779 0.88 MAPK14 (0.70) MAPK14FLT1KDRTEKMAPK13
SCHEMBL11403139 0.83 MAPK14 (0.63) MAPK14FLT1KDRTEKMAPK13
SCHEMBL9748155 0.82 MAPK14 (0.76) MAPK14FLT1KDRTEKMAPK13
SCHEMBL2849391 0.81 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11KDM4E
Ethylamine SCHEMBL11381979 0.79 MAPK14 (0.56) MAPK14FLT1KDRTEKMAPK13
SCHEMBL2847515 0.78 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5313107 0.77 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL9436245 0.76 MAPK14 (0.84) MAPK14FLT1KDRTEKMAPK13
SCHEMBL2842996 0.76 MAPK14 (0.73) MAPK14FLT1KDRTEKMAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069436-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT Merckle (DE) 2010-03-18 US disclosed
EP-2054404-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT MERCKLE GMBH (DE) 2009-05-06 EP disclosed
EP-1894925-A1 Imidazole compounds having an antiinflammatory effect MERCKLE GMBH (DE) 2008-03-05 EP disclosed
WO-2008023066-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT MERCKLE GMBH (DE) 2008-02-28 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-20100069436-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT MIF, TNF, IL1B MAPK14 2368/4885FLT1 831/4885KDR 2085/4885

“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.