SCHEMBL4369641

SCHEMBL4369641

COc1ccc(CNC(=O)Nc2ccc3nc(-c4cscn4)[nH]c3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.55
KDR P35968 1/20 0.51
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
ROCK2 O75116 1/20 0.48
METAP1 P53582 2/20 0.47
METAP2 P50579 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
QPCT Q16769 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 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
SCHEMBL4367629 0.89 ROCK2 (0.52) GSK3BROCK2METAP1METAP2SMN1; SMN2
SCHEMBL4367949 0.84 METAP1 (0.55) MEN1KMT2AROCK2METAP1METAP2
SCHEMBL4368853 0.83 SMN1; SMN2 (0.50) MEN1KMT2AROCK2METAP1METAP2
SCHEMBL4367616 0.82 MAPT (0.51) KDRMEN1KMT2AMETAP1METAP2
SCHEMBL4368844 0.81 METAP1 (0.50) ROCK2METAP1METAP2SMN1; SMN2HDAC6
SCHEMBL3500750 0.81 METAP1 (0.59) MEN1KMT2AMETAP1METAP2SMN1; SMN2
SCHEMBL4363701 0.81 ROCK2 (0.52) KDRMEN1KMT2AROCK2METAP1
SCHEMBL4372948 0.80 KDR (0.57) KDRMEN1HTTKMT2ASMN1; SMN2
SCHEMBL16583701 0.79 METAP1 (0.45) KDRMEN1KMT2AMETAP1METAP2
SCHEMBL13624132 0.78 METAP1 (0.64) KDRMEN1KMT2AMETAP1METAP2

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
EP-1581217-A4 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2007-07-11 EP claimed
EP-1581217-A1 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2005-10-05 EP claimed
WO-2004041277-A1 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2004-05-21 WO claimed
US-7622592-B2 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-11-24 US disclosed
US-7622592-B2 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-11-24 US disclosed
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 GSK3B 2309/4885KDR 2254/4885MEN1 3556/4885

“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.