SCHEMBL4367763

SCHEMBL4367763

Cc1ccc(CC(=O)Nc2ccc3[nH]c(-c4cscn4)nc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.55
METAP1 P53582 4/20 0.52
METAP2 P50579 2/20 0.52
EGFR P00533 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
RAB9A P51151 2/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
FKBP1A P62942 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAPT P10636 4/20 0.43

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
SCHEMBL4380108 0.92 METAP1 (0.49) KDRMETAP1METAP2EGFRSMN1; SMN2
SCHEMBL4371202 0.90 KDR (0.55) KDRMETAP1METAP2SMN1; SMN2TP53
SCHEMBL4363482 0.90 METAP1 (0.52) KDRMETAP1METAP2SMN1; SMN2TP53
SCHEMBL4372948 0.90 KDR (0.57) KDRSMN1; SMN2KDM4ENPC1TDP1
SCHEMBL4368752 0.90 KDR (0.46) KDRMETAP1METAP2SMN1; SMN2TP53
SCHEMBL5221223 0.88 METAP1 (0.42) KDRMETAP1METAP2SMN1; SMN2TP53
SCHEMBL4372898 0.88 MCHR1 (0.46) KDRMETAP1METAP2SMN1; SMN2TP53
SCHEMBL4376348 0.87 METAP1 (0.57) METAP1METAP2SMN1; SMN2TP53KDM4E
SCHEMBL4368853 0.87 SMN1; SMN2 (0.50) METAP1METAP2SMN1; SMN2TP53KDM4E
SCHEMBL4372206 0.87 METAP1 (0.45) KDRMETAP1METAP2SMN1; SMN2TP53

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 10 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
US-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-02-16 US 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
EP-1581217-A4 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2007-07-11 EP disclosed
US-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-02-16 US disclosed
EP-1581217-A1 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2005-10-05 EP disclosed
WO-2004041277-A1 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2004-05-21 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 (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 KDR 2254/4885METAP1 3988/4885METAP2 4604/4885

“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.