SCHEMBL4787477

SCHEMBL4787477

Fc1c(Cl)cccc1Nc1ccnc2ccc(C(F)(F)F)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 3/20 0.56
KDR P35968 3/20 0.55
RIPK2 O43353 2/20 0.55
MAPK14 Q16539 1/20 0.55
ABL1 P00519 2/20 0.51
EPHB6 O15197 1/20 0.51
LCK P06239 1/20 0.51
EPHA1 P21709 1/20 0.51
EPHA8 P29322 1/20 0.51
TXK P42681 1/20 0.51
COQ8A Q8NI60 1/20 0.51
NLK Q9UBE8 1/20 0.51
CDK8 P49336 3/20 0.50
CCNC P24863 2/20 0.50
MAPKAPK2 P49137 3/20 0.45
CLK2 P49760 2/20 0.44
GSK3B P49841 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
TGFBR1 P36897 1/20 0.44
CHEK1 O14757 1/20 0.44

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
SCHEMBL4741519 0.80 RIPK2 (0.57) GAKKDRRIPK2MAPK14ABL1
SCHEMBL4787800 0.79 CD38 (0.64) GAKKDRRIPK2MAPK14ABL1
SCHEMBL4737841 0.79 GAK (0.69) GAKKDRRIPK2MAPK14ABL1
SCHEMBL4741884 0.76 GAK (0.60) GAKKDRRIPK2MAPK14ABL1
SCHEMBL30050271 0.74 CCNC (0.48) GAKKDRRIPK2MAPK14ABL1
SCHEMBL317086 0.74 CCNC (0.48) GAKKDRRIPK2MAPK14ABL1
SCHEMBL5929081 0.73 GAK (0.53) GAKKDRRIPK2MAPK14ABL1
SCHEMBL29391609 0.71 GAK (0.65) GAKKDRRIPK2MAPK14ABL1
SCHEMBL28845692 0.69 FADS1 (0.66) GAKKDRRIPK2ABL1EPHB6
SCHEMBL30880706 0.69 GAK (0.80) GAKKDRRIPK2MAPK14ABL1

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
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders LEXICON PHARMACEUTICALS, INC. 2008-08-21 US disclosed
US-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer LEXICON PHARMACEUTICALS, INC. 2008-08-14 US disclosed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 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 (2 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-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer TNF, IL6, CXCL8 GAK 2043/4885KDR 1066/4885RIPK2 3512/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG GAK 3733/4885KDR 4840/4885RIPK2 4828/4885

“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.