SCHEMBL4786094

SCHEMBL4786094

COc1ccc(Cn2nc(Nc3cccc(Cl)c3)c3cc(Cl)cnc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.52
▸ FADS1 O60427 1/20 0.48
▸ EGFR P00533 5/20 0.48
▸ CDK1 P06493 2/20 0.48
▸ MAPT P10636 5/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ PDGFRA P16234 2/20 0.46
▸ CCNE1 P24864 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ SRC P12931 3/20 0.43
▸ ABL1 P00519 2/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ PRKCA P17252 1/20 0.43
▸ ERBB3 P21860 1/20 0.42

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
SCHEMBL4786047 0.91 KDR (0.49) KDRFADS1EGFRCDK1MAPT
SCHEMBL4785627 0.82 KDR (0.54) KDRFADS1EGFRCDK1LMNA
SCHEMBL4785513 0.77 FADS1 (0.53) KDRFADS1EGFRCDK1MAPT
SCHEMBL29872928 0.77 KDM4E (0.43) MAPTALDH1A1LMNAHPGDALOX15
SCHEMBL29872787 0.77 PDE1B (0.42) MAPTALDH1A1LMNAHPGDALOX15
SCHEMBL4813171 0.77 FADS1 (0.50) KDRFADS1EGFRCDK1LMNA
SCHEMBL4787234 0.77 KDM4E (0.53) FADS1EGFRCDK1MAPTALDH1A1
SCHEMBL4785917 0.76 FADS1 (0.49) KDRFADS1EGFRCDK1MAPT
SCHEMBL4742251 0.76 FADS1 (0.51) KDRFADS1EGFRCDK1LMNA
SCHEMBL4786591 0.75 FADS1 (0.48) KDRFADS1EGFRCDK1MAPT

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 5 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

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 KDR 1066/4885FADS1 1059/4885EGFR 1259/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG KDR 4840/4885FADS1 270/4885EGFR 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.

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