SCHEMBL4784375

SCHEMBL4784375

COc1cnc2[nH]nc(Nc3cccc(Cl)c3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 6/20 0.69
EGFR P00533 9/20 0.54
CDK1 P06493 4/20 0.54
ABL1 P00519 4/20 0.53
PRKCA P17252 2/20 0.52
SRC P12931 2/20 0.52
PDGFRB P09619 2/20 0.51
PDGFRA P16234 1/20 0.51
ERBB3 P21860 1/20 0.49
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
TNF P01375 1/20 0.48
MEN1 O00255 1/20 0.48
GMNN O75496 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
RAF1 P04049 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL4787044 0.84 FADS1 (0.70) FADS1EGFRCDK1ABL1PRKCA
SCHEMBL4787382 0.81 FADS1 (1.00) FADS1EGFRCDK1ABL1PRKCA
SCHEMBL4785443 0.81 FADS1 (0.67) FADS1EGFRCDK1ABL1PRKCA
SCHEMBL4784393 0.77 FADS1 (0.66) FADS1EGFRCDK1ABL1PRKCA
SCHEMBL8122182 0.75 EGFR (0.79) FADS1EGFRCDK1ABL1PRKCA
SCHEMBL21651594 0.75 AURKB (0.52) FADS1EGFRGRM4ERBB2
SCHEMBL8125397 0.74 EGFR (0.73) FADS1EGFRCDK1ABL1PRKCA
SCHEMBL8114957 0.74 EGFR (0.79) FADS1EGFRCDK1ABL1PRKCA
SCHEMBL3953412 0.72 EGFR (0.64) FADS1EGFRCDK1ABL1PRKCA
SCHEMBL23352119 0.72 FADS1 (0.45) FADS1EGFRCDK1ABL1PRKCA

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-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY 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 FADS1 1059/4885EGFR 1259/4885CDK1 1928/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885EGFR 3860/4885CDK1 4335/4885

“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.