SCHEMBL2644039

SCHEMBL2644039

NC(=O)c1ccc(CNC2CC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 4/20 0.53
NAMPT P43490 1/20 0.42
HDAC1 Q13547 1/20 0.41
GSK3B P49841 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
MASP2 O00187 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
CXCR4 P61073 1/20 0.40
CHEK1 O14757 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39

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
SCHEMBL21088781 0.82 P4HTM (0.50) VNN1HDAC1KMT2AMEN1RAB9A
SCHEMBL25720163 0.82 MAPK1 (0.50) HDAC1KMT2AMEN1RAB9AKDM4E
SCHEMBL30980810 0.78 VNN1 (0.55) VNN1NAMPTKMT2AMEN1OPRM1
SCHEMBL27975171 0.76 VNN1 (0.44) VNN1NAMPTGSK3BKMT2AMEN1
SCHEMBL22483034 0.76 HDAC1 (0.58) VNN1HDAC1KMT2AMEN1OPRM1
SCHEMBL2644041 0.76 MEN1 (0.46) VNN1KMT2AMEN1RAB9AKDM4E
Trifluoroacetic Acid SCHEMBL25251702 0.75 MAPK1 (0.43) KMT2AMEN1RAB9AKDM4E
SCHEMBL21088880 0.75 EPHX2 (0.39) HDAC1KMT2AMEN1
Trifluoroacetic Acid SCHEMBL30449151 0.75 MAPK1 (0.43) KMT2AMEN1RAB9AKDM4E
SCHEMBL6469210 0.74 VNN1 (0.41) VNN1NAMPTKMT2AMEN1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2463283-B1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases PFIZER PROD INC (US) 2014-06-11 EP disclosed
EP-2010520-B1 HETEROBICYCLIC AMIDES FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PROD INC (US) 2012-09-12 EP disclosed
EP-2463283-A1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases Pfizer Products Inc. (US) 2012-06-13 EP disclosed
US-7842713-B2 Fused phenyl amido heterocyclic compounds PFIZER INC (US) 2010-11-30 US disclosed
EP-2010520-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES Pfizer Products Incorporated (US) 2009-01-07 EP disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 US disclosed
WO-2007122482-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2007-11-01 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-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS GCK, GCKR, HK1 VNN1 4029/4885NAMPT 1086/4885HDAC1 267/4885

“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.