SCHEMBL8299115

SCHEMBL8299115

CCCc1c(C)nc(N)c(C#N)c1-c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.80
HSD17B10 Q99714 6/20 0.66
ADORA2A P29274 3/20 0.66
HTT P42858 3/20 0.66
ADRA2A P08913 2/20 0.66
RXFP1 Q9HBX9 2/20 0.56
ALDH1A1 P00352 8/20 0.53
HPGD P15428 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 1/20 0.52
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 1/20 0.47
ADORA1 P30542 1/20 0.47
TSHR P16473 1/20 0.46
ALOX15 P16050 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL11037564 0.77 HSD17B10 (0.77) KDM4EHSD17B10ADORA2AHTTADRA2A
SCHEMBL7011406 0.76 ADORA2A (0.70) KDM4EHSD17B10ADORA2AHTTADRA2A
SCHEMBL8974906 0.74 HSD17B10 (0.68) KDM4EHSD17B10ADORA2AHTTADRA2A
SCHEMBL5483513 0.74 HSD17B10 (0.72) KDM4EHSD17B10ADORA2AHTTADRA2A
SCHEMBL8918577 0.74 ALDH1A1 (0.72) KDM4EHSD17B10ADORA2AHTTADRA2A
SCHEMBL28379366 0.71 KDM4E (0.58) KDM4EHSD17B10ADORA2AHTTADRA2A
SCHEMBL6256113 0.71 HSD17B10 (0.72) KDM4EHSD17B10ADORA2AHTTADRA2A
SCHEMBL3544893 0.70 ADORA2A (0.62) KDM4EHSD17B10ADORA2AHTTADRA2A
SCHEMBL935583 0.69 ADORA2A (0.61) KDM4EHSD17B10ADORA2AHTTADRA2A
SCHEMBL245321 0.69 ADORA2A (0.60) KDM4EHSD17B10ADORA2AHTTADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
US-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
WO-2005037779-A2 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS USED FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 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-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases DNPEP, PREP, DPP4 KDM4E 3785/4885HSD17B10 919/4885ADORA2A 4028/4885

“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.