SCHEMBL4741932

SCHEMBL4741932

Clc1cccc(Nc2ncnc3ccc(-c4ccsc4)cc23)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.67
CD38 P28907 1/20 0.65
ERBB2 P04626 2/20 0.63
KDM4E B2RXH2 1/20 0.63
MEN1 O00255 1/20 0.63
NPC1 O15118 1/20 0.63
PRNP P04156 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
MAPT P10636 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
HTT P42858 1/20 0.63
KMT2A Q03164 1/20 0.63
MAP4K4 O95819 2/20 0.61
FADS1 O60427 1/20 0.60
LCK P06239 1/20 0.59
RAF1 P04049 2/20 0.56
BRAF P15056 2/20 0.56

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
SCHEMBL4787908 0.86 EGFR (0.82) EGFRCD38ERBB2KDM4EMEN1
SCHEMBL4738594 0.84 EGFR (0.76) EGFRCD38ERBB2KDM4EMEN1
SCHEMBL6190100 0.84 CD38 (0.66) EGFRCD38ERBB2RAF1BRAF
SCHEMBL4741375 0.82 EGFR (0.72) EGFRCD38ERBB2KDM4EMEN1
SCHEMBL4741873 0.82 RAF1 (0.80) EGFRCD38ERBB2KDM4EMEN1
SCHEMBL4737893 0.82 CD38 (0.74) EGFRCD38ERBB2KDM4EMEN1
SCHEMBL4738831 0.81 EGFR (0.70) EGFRCD38ERBB2KDM4EMEN1
SCHEMBL4740520 0.81 EGFR (0.74) EGFRCD38ERBB2KDM4EMEN1
SCHEMBL29793189 0.81 EGFR (0.73) EGFRCD38ERBB2KDM4EMEN1
SCHEMBL17858692 0.81 EGFR (0.73) EGFRCD38ERBB2KDM4EMEN1

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 7 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-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC BUCK INST RES AGING (US) 2024-07-04 US disclosed
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 (3 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 1259/4885CD38 1036/4885ERBB2 2032/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL EGFR 2964/4885CD38 252/4885ERBB2 3512/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG EGFR 3860/4885CD38 2004/4885ERBB2 3708/4885

“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.