SCHEMBL4252915

SCHEMBL4252915

O=C(O)c1cnc(NCCO)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.46
TMPRSS15 P98073 2/20 0.41
FFAR2 O15552 1/20 0.40
MAPK14 Q16539 6/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
SCD O00767 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
LCK P06239 3/20 0.38
PI4KB Q9UBF8 1/20 0.37
ABL1 P00519 1/20 0.37

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
SCHEMBL13623803 0.81 HCAR2 (0.45) HCAR2TMPRSS15FFAR2MAPK14NPC1
SCHEMBL16113553 0.81 HCAR2 (0.52) HCAR2FFAR2MAPK14NPC1CYP1A2
SCHEMBL21552094 0.80 TMPRSS15 (0.58) HCAR2TMPRSS15FFAR2MAPK14NPC1
SCHEMBL13610843 0.80 HCAR2 (0.44) HCAR2TMPRSS15FFAR2MAPK14NPC1
SCHEMBL4249606 0.79 HCAR2 (0.41) HCAR2FFAR2MAPK14LCKKDM4E
SCHEMBL24035968 0.77 MAPK14 (0.42) HCAR2TMPRSS15FFAR2MAPK14NPC1
SCHEMBL14047607 0.77 ATG4B (0.39) HCAR2TMPRSS15FFAR2MAPK14NPC1
SCHEMBL4252532 0.77 ABL1 (0.63) MAPK14MAPK13MAPK12MAPK11LCK
SCHEMBL3045677 0.76 CCNE1 (0.51) HCAR2FFAR2NPC1RAB9ASCD
SCHEMBL4255759 0.76 SCD (0.56) MAPK14NPC1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-23 US claimed
EP-1841431-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-10-10 EP claimed
WO-2006081172-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-08-03 WO claimed
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-23 US disclosed
EP-1841431-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-10-10 EP disclosed
WO-2006081172-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-08-03 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-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ABL1, BCR, PDGFRB HCAR2 3678/4885TMPRSS15 3704/4885FFAR2 2794/4885

“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.