SCHEMBL4741962

SCHEMBL4741962

Cn1ccc2c(Nc3cccc(Cl)c3)ncnc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.58
FADS1 O60427 2/20 0.58
MAPT P10636 6/20 0.57
KDM4E B2RXH2 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HTT P42858 2/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
GAA P10253 1/20 0.57
TSHR P16473 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
LCK P06239 2/20 0.56
TTBK1 Q5TCY1 1/20 0.55
TTBK2 Q6IQ55 1/20 0.55
ERBB2 P04626 2/20 0.55
CCNB2 O95067 1/20 0.55
CDK1 P06493 1/20 0.55

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
SCHEMBL29110509 0.84 EGFR (0.67) EGFRERBB2FBP1
SCHEMBL13214883 0.83 ABL1 (0.65) EGFRMAPTKDM4EMEN1KMT2A
SCHEMBL6219993 0.82 EGFR (0.58) EGFRERBB2ABL1BCRFBP1
SCHEMBL4414264 0.81 MAPT (0.57) EGFRFADS1MAPTKDM4EMEN1
SCHEMBL29110515 0.81 EGFR (0.60) EGFRMAPTHTTLMNATSHR
SCHEMBL7022406 0.81 EGFR (0.57) EGFRMAPTKDM4EALDH1A1LMNA
SCHEMBL4052839 0.81 KDM4E (0.75) MAPTKDM4EMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL7017577 0.80 EGFR (0.56) EGFRMAPTKDM4EALDH1A1LMNA
SCHEMBL29771431 0.77 MAPT (0.57) EGFRFADS1MAPTKDM4EMEN1
SCHEMBL29110517 0.77 MAPT (0.57) EGFRFADS1MAPTKDM4EMEN1

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 11 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
CN-114957262-B Preparation method of C-6-position arylation deazapurine derivative 浙江工业大学 2023-11-17 CN disclosed
CN-114848648-B Application of C-6-position arylation deazapurine derivative in preparation of antitumor drugs 浙江工业大学 2023-07-14 CN disclosed
CN-114957262-A Preparation method of C-6-arylation deazapurine derivative 浙江工业大学 2022-08-30 CN disclosed
CN-114848648-A Application of C-6 arylation deazapurine derivative in preparation of antitumor drugs 浙江工业大学 2022-08-05 CN 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 1259/4885FADS1 1059/4885MAPT 1069/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL EGFR 2964/4885FADS1 192/4885MAPT 4494/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG EGFR 3860/4885FADS1 270/4885MAPT 2635/4885

“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.