SCHEMBL946663

SCHEMBL946663

CN(C)c1cc(C(=O)Nc2ccn(Cc3cccnc3)n2)cc(Oc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.47
LMNA P02545 4/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ALDH1A1 P00352 3/20 0.46
CACNA1G O43497 7/20 0.43
CACNA1I Q9P0X4 7/20 0.43
CACNA1H O95180 6/20 0.43
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTGER1 P34995 1/20 0.41
GRM5 P41594 2/20 0.40
GAA P10253 1/20 0.40
NAPEPLD Q6IQ20 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
SCHEMBL944408 0.91 SMN1; SMN2 (0.44) SMN1; SMN2LMNAPKMNPC1RAB9A
SCHEMBL943655 0.87 SMN1; SMN2 (0.52) SMN1; SMN2LMNAPKMNPC1RAB9A
SCHEMBL945579 0.76 GCK (0.47) NPC1RAB9A
SCHEMBL944042 0.75 GCK (0.46) NPC1RAB9ANAPEPLD
SCHEMBL945739 0.73 GCK (0.44) NPC1RAB9A
SCHEMBL2657842 0.73 GCK (0.61)
SCHEMBL2669630 0.73 GCK (0.54) SMN1; SMN2LMNAPKM
SCHEMBL947020 0.73 MCHR1 (0.49) NPC1RAB9A
SCHEMBL946413 0.72 GCK (0.49) NPC1RAB9A
SCHEMBL944722 0.72 GCK (0.47) NPC1RAB9A

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
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

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 SMN1; SMN2 2140/4885LMNA 2215/4885PKM 1346/4885

“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.