SCHEMBL2679514

SCHEMBL2679514

CCOC(=O)n1nc(NC(=O)c2ccc(OC3CCN(C)CC3)cc2[N+](=O)[O-])c2c1CCNC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.40
IGF1R P08069 1/20 0.40
ALK Q9UM73 1/20 0.40
KDM1A O60341 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HCAR1 Q9BXC0 1/20 0.35
LMNA P02545 1/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1F P30939 1/20 0.34
DYRK1A Q13627 4/20 0.33
GSK3B P49841 3/20 0.33
PARP1 P09874 1/20 0.33
KIT P10721 2/20 0.33
FLT3 P36888 2/20 0.33
TTK P33981 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32

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
Hydrochloric Acid SCHEMBL2679512 0.99 INSR (0.39) INSRIGF1RALKKDM1AHCAR2
SCHEMBL2677539 0.87 MAPT (0.41) LMNAKDM4E
Hydrochloric Acid SCHEMBL2677535 0.86 MAPT (0.40) LMNAKDM4E
SCHEMBL1886632 0.85 SIRT6 (0.42) INSRIGF1RALKLMNASIRT6
SCHEMBL1891444 0.85 GPR119 (0.36) INSRIGF1RALKHCAR2HCAR1
Hydrochloric Acid SCHEMBL1886629 0.85 SIRT6 (0.41) INSRIGF1RALKLMNASIRT6
SCHEMBL2678209 0.83 USP7 (0.34) LMNASLC6A2SLC6A4SLC6A3KDM4E
Hydrochloric Acid SCHEMBL2678205 0.82 USP7 (0.34) LMNASLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL4093899 0.82 MAPT (0.37) LMNASLC6A2SLC6A4SLC6A3
SCHEMBL1883184 0.81 IGF1R (0.39) INSRIGF1RALKHCAR2HCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173659-B2 Substituted pyrazolo[4,3-C]pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-05-08 US disclosed
US-20090023745-A1 Substituted Pyrazolo[4,3-c]Pyridine Derivatives Active as Kinase Inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-01-22 US 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-20090023745-A1 Substituted Pyrazolo[4,3-c]Pyridine Derivatives Active as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K19 INSR 922/4885IGF1R 760/4885ALK 517/4885

“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.