SCHEMBL4249606

SCHEMBL4249606

CCN(CC)CCCNc1ncc(C(=O)O)s1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
MAPK14 Q16539 4/20 0.39
GAA P10253 3/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
NSD2 O96028 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
LCK P06239 2/20 0.38
KDM4E B2RXH2 1/20 0.37
RAD52 P43351 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FFAR2 O15552 1/20 0.37
ACKR3 P25106 1/20 0.37
CACNA2D1 P54289 1/20 0.36
TOP2A P11388 1/20 0.36

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
SCHEMBL4253447 0.82 ABL1 (0.50) MAPK14LMNALCK
SCHEMBL4252915 0.79 HCAR2 (0.46) HCAR2MAPK14ALDH1A1LCKKDM4E
SCHEMBL16113553 0.78 HCAR2 (0.52) HCAR2MAPK14ALDH1A1LCKKDM4E
SCHEMBL13623803 0.77 HCAR2 (0.45) HCAR2MAPK14ALDH1A1LCKKDM4E
SCHEMBL24035968 0.74 MAPK14 (0.42) HCAR2MAPK14LCKFFAR2
SCHEMBL21552094 0.73 TMPRSS15 (0.58) HCAR2MAPK14ALDH1A1LCKKDM4E
SCHEMBL13610843 0.73 HCAR2 (0.44) HCAR2MAPK14GAAALDH1A1LCK
SCHEMBL4257980 0.73 FPR3 (0.45) ALDH1A1LMNAKMT2AFPR3FPR2
SCHEMBL4253264 0.72 QPCT (0.50) ALDH1A1LMNAKDM4E
SCHEMBL14288431 0.71 MAPK14 (0.54) HCAR2MAPK14ALDH1A1LCKKDM4E

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 3678/4885MAPK14 461/4885GAA 885/4885

“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.