SCHEMBL4740956

SCHEMBL4740956

Clc1cccc(Nc2ncnc3cc[nH]c23)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.68
ERBB2 P04626 11/20 0.68
ERBB3 P21860 9/20 0.68
ERBB4 Q15303 9/20 0.68
TTBK1 Q5TCY1 1/20 0.65
TTBK2 Q6IQ55 1/20 0.65
FADS1 O60427 2/20 0.60
LCK P06239 1/20 0.59
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
PRNP P04156 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 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
SCHEMBL4544706 0.82 EGFR (0.60) EGFRERBB2ERBB3ERBB4TTBK1
SCHEMBL2747938 0.79 TOP2A (0.67) EGFRERBB2ERBB3ERBB4KDM4E
SCHEMBL4738813 0.79 TTBK1 (1.00) EGFRERBB2TTBK1TTBK2FADS1
SCHEMBL4740533 0.78 EGFR (0.82) EGFRERBB2TTBK1TTBK2FADS1
SCHEMBL4913665 0.78 SMN1; SMN2 (0.71) EGFRTTBK1TTBK2NPC1MAPT
Hydrochloric Acid SCHEMBL7018010 0.78 TTBK1 (0.97) EGFRERBB2TTBK1TTBK2FADS1
Hydrochloric Acid SCHEMBL11089290 0.77 EGFR (0.80) EGFRERBB2TTBK1TTBK2FADS1
SCHEMBL4355658 0.75 EGFR (1.00) EGFRERBB2FADS1LCKKDM4E
SCHEMBL29352479 0.75 EGFR (1.00) EGFRERBB2FADS1LCKKDM4E
SCHEMBL136003 0.75 EGFR (1.00) EGFRERBB2FADS1LCKKDM4E

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-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER 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-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 (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 1259/4885ERBB2 2032/4885ERBB3 3193/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL EGFR 2964/4885ERBB2 3512/4885ERBB3 3696/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG EGFR 3860/4885ERBB2 3708/4885ERBB3 2950/4885

“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.