SCHEMBL2656936

SCHEMBL2656936

CNc1cc(C(=O)Nc2ccn(C)n2)cc(Oc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
HPGDS O60760 1/20 0.47
GCK P35557 7/20 0.46
NUDT1 P36639 1/20 0.45
KCNH2 Q12809 3/20 0.45
HCK P08631 1/20 0.43
BTK Q06187 1/20 0.43
ACSS2 Q9NR19 1/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
GRM5 P41594 1/20 0.41

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
SCHEMBL943092 0.87 NPC1 (0.50) NPC1RAB9AHPGDSGCKKCNH2
SCHEMBL2656157 0.85 NPC1 (0.44) NPC1RAB9AHPGDSGCKKCNH2
SCHEMBL944216 0.84 GCK (0.49) NPC1RAB9AHPGDSGCKKCNH2
SCHEMBL944631 0.83 GCK (0.51) NPC1RAB9AHPGDSGCKKCNH2
SCHEMBL943387 0.82 GCK (0.43) NPC1RAB9AHPGDSGCKKCNH2
SCHEMBL947020 0.81 MCHR1 (0.49) NPC1RAB9AHPGDSGCKKCNH2
SCHEMBL945579 0.81 GCK (0.47) NPC1RAB9AHPGDSGCKKCNH2
SCHEMBL946413 0.80 GCK (0.49) NPC1RAB9AHPGDSGCKKCNH2
SCHEMBL944722 0.80 GCK (0.47) NPC1RAB9AHPGDSGCKKCNH2
SCHEMBL944372 0.80 GCK (0.51) NPC1RAB9AGCKKCNH2

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-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
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 NPC1 1995/4885RAB9A 3310/4885HPGDS 3136/4885

“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.