SCHEMBL4737834

SCHEMBL4737834

Cc1csc2c(Nc3cccc(Cl)c3)ncnc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 3/20 0.60
EGFR P00533 11/20 0.52
ABL1 P00519 2/20 0.51
ABL2 P42684 2/20 0.51
CCNB2 O95067 2/20 0.51
CDK1 P06493 2/20 0.51
CCNB1 P14635 2/20 0.51
CCNB3 Q8WWL7 2/20 0.51
RAF1 P04049 2/20 0.51
CSF1R P07333 1/20 0.51
BRAF P15056 1/20 0.51
DDR1 Q08345 1/20 0.51
DDR2 Q16832 1/20 0.51
LCK P06239 1/20 0.49
ERBB2 P04626 2/20 0.48
TTBK1 Q5TCY1 1/20 0.48
TTBK2 Q6IQ55 1/20 0.48
LPAR2 Q9HBW0 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47

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
SCHEMBL29116561 0.85 EGFR (0.60) EGFRABL1ABL2
SCHEMBL29116330 0.84 MAPT (0.51) EGFRABL1ABL2ERBB2LPAR2
SCHEMBL30715796 0.81 EGFR (0.57) EGFRKDM4EMAPTLMNATP53
SCHEMBL5568231 0.77 EGFR (0.64) FADS1EGFRABL1ABL2CCNB2
SCHEMBL5642113 0.76 MAPT (0.58) LPAR2KDM4EMEN1MAPTKMT2A
SCHEMBL13434871 0.76 MAPT (0.48) CCNB2CDK1CCNB1CCNB3RAF1
SCHEMBL13434910 0.76 AURKA (0.49) RAF1CSF1RBRAFDDR1DDR2
SCHEMBL3948280 0.75 FADS1 (1.00) FADS1EGFRABL1ABL2RAF1
SCHEMBL7619308 0.74 TRPV1 (0.45) RAF1CSF1RBRAFDDR1DDR2
SCHEMBL5329028 0.74 CLK1 (0.56) EGFRLCKLPAR2TP53NPC1

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-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 FADS1 1059/4885EGFR 1259/4885ABL1 2163/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL FADS1 192/4885EGFR 2964/4885ABL1 4054/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885EGFR 3860/4885ABL1 1600/4885

“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.