SCHEMBL4367704

SCHEMBL4367704

NC(=O)c1[c]ccc2nc(-c3nccs3)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.39
TGFBR1 P36897 1/20 0.37
CHEK2 O96017 2/20 0.33
MYC P01106 1/20 0.33
SPR P35270 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
PDE10A Q9Y233 1/20 0.31
HSP90AA1 P07900 1/20 0.31
LRRK2 Q5S007 1/20 0.31
PKN1 Q16512 1/20 0.31
PKN2 Q16513 1/20 0.31
ECE1 P42892 1/20 0.30
ERCC1 P07992 1/20 0.30
FEN1 P39748 1/20 0.30
ERCC4 Q92889 1/20 0.30
RAB9A P51151 1/20 0.30
GRIK1 P39086 1/20 0.30
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30

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
SCHEMBL6799508 0.78 METAP1 (0.44) METAP1TGFBR1CHEK2LRRK2PKN1
SCHEMBL4367562 0.76 METAP1 (0.45) METAP1CHEK2PDE10ARAB9A
SCHEMBL4154153 0.72 GUSB (0.43) CHEK2
SCHEMBL8499134 0.67 METAP1 (0.49) METAP1ADORA2AADORA1PDE10ARAB9A
SCHEMBL6799499 0.65 PKN1 (0.64) METAP1CHEK2PKN1PKN2
SCHEMBL31729552 0.64 PDPK1 (0.49) METAP1TGFBR1ADORA2AADORA1PDE10A
SCHEMBL11890085 0.63 CYP3A4 (0.35) CHEK2MYCPDE10AHSP90AA1RAB9A
SCHEMBL1021801 0.63 METAP1 (0.67) METAP1ADORA2AADORA1PKN1PKN2
SCHEMBL30073835 0.63 METAP1 (0.67) METAP1ADORA2AADORA1PKN1PKN2
SCHEMBL2135270 0.62 METAP1 (0.43) METAP1PDE10AFEN1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-02-16 US claimed
US-7622592-B2 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-11-24 US disclosed
US-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-02-16 US 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 (1 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-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators AR, SHBG, BRCA1 METAP1 3988/4885TGFBR1 448/4885CHEK2 148/4885

“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.