SCHEMBL943948

SCHEMBL943948

CN(c1cc(C(=O)Nc2ccn(C)n2)cc(Oc2ccccc2)n1)C1CCNC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCK P35557 9/20 0.41
KCNH2 Q12809 6/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CHEK2 O96017 1/20 0.38
HPGDS O60760 1/20 0.38
ABL1 P00519 1/20 0.37
ACSS2 Q9NR19 1/20 0.37
SLC6A3 Q01959 1/20 0.37
RPS6KA3 P51812 1/20 0.37
RPS6KA2 Q15349 1/20 0.37

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
SCHEMBL943385 0.88 GCK (0.43) GCKKCNH2NPC1RAB9AHPGDS
SCHEMBL2669560 0.87 WNT1 (0.46) GCKKCNH2NPC1RAB9AHPGDS
SCHEMBL943321 0.82 LTA4H (0.45) GCK
SCHEMBL946413 0.81 GCK (0.49) GCKKCNH2NPC1RAB9AHPGDS
SCHEMBL947020 0.80 MCHR1 (0.49) GCKKCNH2NPC1RAB9AHPGDS
SCHEMBL945579 0.80 GCK (0.47) GCKKCNH2NPC1RAB9AHPGDS
SCHEMBL944722 0.79 GCK (0.47) GCKKCNH2NPC1RAB9AHPGDS
SCHEMBL944372 0.79 GCK (0.51) GCKKCNH2NPC1RAB9A
SCHEMBL945739 0.78 GCK (0.44) GCKKCNH2NPC1RAB9AHPGDS
SCHEMBL2669668 0.78 GCK (0.44) GCKKCNH2NPC1RAB9AHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009437-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-01-13 US claimed
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 GCK 4/4885KCNH2 1830/4885SLC6A2 3509/4885

“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.