SCHEMBL4739635

SCHEMBL4739635

CCc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.74
ERBB2 P04626 2/20 0.70
KDM4E B2RXH2 2/20 0.69
MEN1 O00255 2/20 0.69
CYP1A2 P05177 2/20 0.69
CYP3A4 P08684 2/20 0.69
CYP2D6 P10635 2/20 0.69
MAPT P10636 2/20 0.69
KMT2A Q03164 2/20 0.69
NPC1 O15118 1/20 0.69
PRNP P04156 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
HTT P42858 1/20 0.69
FADS1 O60427 1/20 0.66
FBP1 P09467 2/20 0.65
LCK P06239 1/20 0.64
GMNN O75496 1/20 0.61
ALDH1A1 P00352 1/20 0.61
ABL1 P00519 1/20 0.61

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
SCHEMBL4355658 0.85 EGFR (1.00) EGFRERBB2KDM4EMEN1CYP1A2
SCHEMBL15452380 0.85 RAF1 (0.67) EGFRHTTRAF1GLAHPGD
SCHEMBL4741685 0.83 EGFR (0.80) EGFRERBB2KDM4EMEN1CYP1A2
SCHEMBL8644631 0.82 EGFR (0.71) EGFRHTT
SCHEMBL1262804 0.82 EGFR (1.00) EGFRERBB2KDM4EMEN1CYP1A2
SCHEMBL4783154 0.82 KDM4E (1.00) EGFRERBB2KDM4EMEN1CYP1A2
SCHEMBL31060510 0.82 EGFR (1.00) EGFRERBB2KDM4EMEN1CYP1A2
SCHEMBL5569459 0.81 HTT (0.69) EGFRERBB2KDM4EMAPTHTT
Hydrochloric Acid SCHEMBL19716096 0.81 KDM4E (0.97) EGFRERBB2KDM4EMEN1CYP1A2
SCHEMBL4738649 0.81 EGFR (0.80) EGFRERBB2KDM4EMEN1CYP1A2

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 EGFR 1259/4885ERBB2 2032/4885KDM4E 4283/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG EGFR 3860/4885ERBB2 3708/4885KDM4E 3229/4885

“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.