SCHEMBL2280177

SCHEMBL2280177

Cn1nnc(C2CCNC2)n1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR3A P46098 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL12310473 1.00 MEN1 (0.35) MEN1KMT2AHTR3AGABRA1GABRB2
SCHEMBL8400223 0.90 CHRM2 (0.40)
SCHEMBL4756103 0.89 MEN1 (0.40) MEN1KMT2AGABRA1GABRB2
Hydrochloric Acid SCHEMBL17423451 0.87 MEN1 (0.42) MEN1KMT2AGABRA1GABRB2
Trifluoroacetic Acid SCHEMBL2393030 0.86 HRH4 (0.35)
Trifluoroacetic Acid SCHEMBL2393034 0.86 HRH4 (0.35)
SCHEMBL13216248 0.85 CHRNB2 (0.30)
SCHEMBL2389690 0.78 HTR3A (0.31) HTR3A
SCHEMBL2389688 0.78 HTR3A (0.31) HTR3A
SCHEMBL12255509 0.78 MAP3K12 (0.33) HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358202-B1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME (US) 2016-06-15 EP disclosed
EP-2358202-B1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME (US) 2016-06-15 EP disclosed
EP-2225238-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
EP-2375904-B1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-05-28 EP disclosed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
WO-2010051245-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-05-06 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 (2 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-20110230498-A1 BIARYL CARBOXAMIDES PAFAH1B3, PAFAH1B2, FAAH2 MEN1 3394/4885KMT2A 1450/4885HTR3A 1424/4885
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES PAFAH1B3, PAFAH1B2, PAF1 MEN1 3540/4885KMT2A 841/4885HTR3A 2643/4885

“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.