SCHEMBL943655

SCHEMBL943655

O=C(Nc1ccn(Cc2cccnc2)n1)c1cc(Cl)nc(Oc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
LMNA P02545 4/20 0.52
ALDH1A1 P00352 3/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
PKM P14618 1/20 0.49
PTGER1 P34995 1/20 0.46
CACNA1G O43497 7/20 0.46
CACNA1I Q9P0X4 7/20 0.46
CACNA1H O95180 6/20 0.46
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CACNA1C Q13936 1/20 0.44
GRM5 P41594 2/20 0.44
ITK Q08881 1/20 0.42
MEN1 O00255 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
SCHEMBL946663 0.87 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL944408 0.84 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL943092 0.78 NPC1 (0.50) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL2657842 0.73 GCK (0.61)
SCHEMBL24335789 0.72 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL24335934 0.71 SMN1; SMN2 (0.79) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL15165811 0.71 CACNA1I (0.53) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL2658718 0.69 GCK (0.72)
SCHEMBL24335542 0.68 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL2656157 0.67 NPC1 (0.44) 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 5 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 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 2140/4885NPC1 1995/4885RAB9A 3310/4885

“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.