SCHEMBL14937263

SCHEMBL14937263

c1nn(CC2CC2)c2c1CNC2

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.33
CRHR1 P34998 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
SCHEMBL9923655 0.93 PKM (0.46) PKMLMNACRHR1
SCHEMBL31651623 0.77 DRD2 (0.35) LMNA
SCHEMBL38654031 0.76 PDE10A (0.36) PKMCRHR1
Hydrochloric Acid SCHEMBL31652076 0.75 DRD2 (0.34)
SCHEMBL8105760 0.72 HDAC9 (0.33)
SCHEMBL38653385 0.72 PDE10A (0.37)
SCHEMBL17213862 0.70
SCHEMBL16058867 0.69 ALOX15 (0.34) PKM
Hydrochloric Acid SCHEMBL18493636 0.69
Hydrochloric Acid SCHEMBL17499076 0.68 ALOX15 (0.33) PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3243385-A1 NOVEL CYCLIC AZABENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS Merck Sharp & Dohme Corp. (US) 2017-11-15 EP disclosed
EP-2677869-B1 NOVEL CYCLIC AZABENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2017-11-08 EP disclosed
US-8796258-B2 Cyclic azabenzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP. (US) 2014-08-05 US disclosed
CN-103476258-A Novel cyclic azabenzimidazole derivatives useful as antidiabetic agents MERCK SHARP & DOHME 2013-12-25 CN disclosed
US-20130123237-A1 NOVEL CYCLIC AZABENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2013-05-16 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-20130123237-A1 NOVEL CYCLIC AZABENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAB2, PRKAG1 PKM 1188/4885LMNA 3606/4885CRHR1 3583/4885

“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.