SCHEMBL4371835

SCHEMBL4371835

Nc1ccc2nc(-c3ccccn3)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 8/20 1.00
NPC1 O15118 6/20 1.00
RAB9A P51151 6/20 1.00
PKM P14618 4/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
GAA P10253 3/20 1.00
LMNA P02545 3/20 1.00
HPGD P15428 3/20 1.00
KDM4E B2RXH2 3/20 1.00
MAPT P10636 3/20 1.00
TP53 P04637 1/20 1.00
NPSR1 Q6W5P4 1/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
KMT2A Q03164 2/20 0.72
MEN1 O00255 1/20 0.72
POLB P06746 1/20 0.72
BLM P54132 1/20 0.72
UBE2N P61088 1/20 0.72
CBFB Q13951 9/20 0.69
METAP1 P53582 6/20 0.69

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
SCHEMBL4814803 0.92 METAP2 (0.84) METAP2NPC1RAB9APKMSMN1; SMN2
SCHEMBL2974133 0.89 METAP2 (0.80) METAP2NPC1RAB9APKMSMN1; SMN2
SCHEMBL8556415 0.88 METAP2 (0.78) METAP2NPC1RAB9APKMSMN1; SMN2
SCHEMBL13866538 0.84 NPC1 (0.74) METAP2NPC1RAB9APKMSMN1; SMN2
SCHEMBL13866537 0.82 NPC1 (0.81) METAP2NPC1RAB9APKMSMN1; SMN2
SCHEMBL12119033 0.82 CBFB (1.00) METAP2NPC1RAB9APKMSMN1; SMN2
SCHEMBL10351278 0.81 NPC1 (0.68) METAP2NPC1RAB9APKMSMN1; SMN2
SCHEMBL29484592 0.80 METAP2 (1.00) METAP2NPC1RAB9APKMSMN1; SMN2
SCHEMBL29405601 0.80 METAP2 (1.00) METAP2NPC1RAB9APKMSMN1; SMN2
SCHEMBL124947 0.80 METAP2 (1.00) METAP2NPC1RAB9APKMSMN1; SMN2

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 13 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
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
EP-0843671-A1 HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1998-05-27 EP disclosed
WO-1997003069-A1 HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1997-01-30 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 METAP2 4604/4885NPC1 3580/4885RAB9A 4310/4885

“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.