SCHEMBL4787044

SCHEMBL4787044

Clc1cccc(Nc2n[nH]c3ncc(Cl)cc23)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 9/20 0.70
GRM4 Q14833 1/20 0.58
EGFR P00533 9/20 0.51
CDK1 P06493 2/20 0.50
SRC P12931 2/20 0.50
ABL1 P00519 3/20 0.49
PRKCA P17252 2/20 0.49
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
ABL2 P42684 1/20 0.49
TTBK1 Q5TCY1 1/20 0.49
TTBK2 Q6IQ55 1/20 0.49
SYK P43405 2/20 0.48
PLK4 O00444 1/20 0.48
DAPK3 O43293 1/20 0.48
DYRK3 O43781 1/20 0.48
ROCK2 O75116 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
RET P07949 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
SCHEMBL4785443 0.88 FADS1 (0.67) FADS1GRM4EGFRCDK1SRC
SCHEMBL4784375 0.84 FADS1 (0.69) FADS1GRM4EGFRCDK1SRC
SCHEMBL4784393 0.83 FADS1 (0.66) FADS1GRM4EGFRCDK1SRC
SCHEMBL4785286 0.82 FADS1 (1.00) FADS1GRM4EGFRSRCABL1
SCHEMBL4783454 0.79 FADS1 (1.00) FADS1GRM4EGFRABL1ABL2
SCHEMBL21651594 0.79 AURKB (0.52) FADS1GRM4EGFRAXLAURKB
SCHEMBL4785768 0.78 FADS1 (0.71) FADS1GRM4PIM1
SCHEMBL23352119 0.76 FADS1 (0.45) FADS1GRM4EGFRCDK1SRC
SCHEMBL14906031 0.75 GRM4 (0.71) FADS1GRM4EGFRCDK1SRC
SCHEMBL4786372 0.75 FADS1 (0.68) FADS1GRM4EGFRSRCABL1

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 FADS1 1059/4885GRM4 1381/4885EGFR 1259/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885GRM4 1878/4885EGFR 3860/4885

“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.