SCHEMBL947020

SCHEMBL947020

CN(C)CCN(C)c1cc(C(=O)Nc2ccn(C)n2)cc(Oc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.49
GCK P35557 11/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGDS O60760 1/20 0.42
KCNH2 Q12809 3/20 0.41
ACSS2 Q9NR19 1/20 0.40

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
SCHEMBL943283 0.92 GCK (0.45) MCHR1GCKNPC1RAB9AHPGDS
SCHEMBL944722 0.92 GCK (0.47) GCKNPC1RAB9AHPGDSKCNH2
SCHEMBL944042 0.91 GCK (0.46) MCHR1GCKNPC1RAB9AHPGDS
SCHEMBL980681 0.90 GCK (0.45) MCHR1GCKNPC1RAB9AHPGDS
SCHEMBL945579 0.89 GCK (0.47) GCKNPC1RAB9AHPGDSKCNH2
SCHEMBL946413 0.88 GCK (0.49) GCKNPC1RAB9AHPGDSKCNH2
SCHEMBL944372 0.88 GCK (0.51) GCKNPC1RAB9AKCNH2
SCHEMBL944216 0.86 GCK (0.49) MCHR1GCKNPC1RAB9AHPGDS
SCHEMBL2669668 0.83 GCK (0.44) GCKNPC1RAB9AHPGDSKCNH2
SCHEMBL945739 0.83 GCK (0.44) GCKNPC1RAB9AHPGDSKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245025-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2010-11-03 EP claimed
WO-2009106209-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2009-09-03 WO claimed
US-20110009437-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-01-13 US disclosed
US-20110009437-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-01-13 US disclosed
US-20110009437-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-01-13 US disclosed
EP-2245025-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2010-11-03 EP disclosed
WO-2009106209-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2009-09-03 WO disclosed
WO-2009106209-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2009-09-03 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-20110009437-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES GLS, GCKR, HK1 MCHR1 2354/4885GCK 4/4885NPC1 1995/4885

“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.