SCHEMBL1885657

SCHEMBL1885657

CCOC(=O)n1nc2c(c1N)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F12 P00748 6/20 0.57
ADORA1 P30542 2/20 0.52
C5AR1 P21730 6/20 0.45
NR1H2 P55055 1/20 0.43
MAPT P10636 3/20 0.39
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL1886210 0.81 ADORA1 (0.52) F12ADORA1C5AR1NR1H2MAPT
SCHEMBL22716373 0.79 ADORA1 (0.43) F12ADORA1C5AR1NR1H2MAPT
SCHEMBL22909708 0.79 F12 (0.49) F12ADORA1C5AR1NR1H2MAPT
SCHEMBL31700101 0.78 ADORA1 (0.51) F12ADORA1C5AR1NR1H2MAPT
SCHEMBL7992630 0.78 ADORA1 (0.46) F12ADORA1C5AR1NR1H2MAPT
SCHEMBL1890373 0.77 NR1H2 (0.42) F12ADORA1C5AR1NR1H2GAA
SCHEMBL22746804 0.77 ADORA1 (0.50) F12ADORA1C5AR1NR1H2MAPT
SCHEMBL797910 0.77 ADORA1 (0.47) F12ADORA1C5AR1NR1H2MAPT
SCHEMBL21183650 0.76 F12 (0.52) F12ADORA1C5AR1NR1H2MAPT
SCHEMBL31700014 0.76 ADORA1 (0.49) F12ADORA1C5AR1NR1H2MAPT

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 6 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-20110230470-A1 SUBSTITUTED PYRAZOLO[4,3-C]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-09-22 US disclosed
US-7947686-B2 Substituted pyrazolo[4,3-c]pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-24 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
EP-1968976-A1 SUBSTITUTED PYRAZOLO [4,3-C] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-09-17 EP disclosed
WO-2007068619-A1 SUBSTITUTED PYRAZOLO [4,3-C] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-06-21 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 (2 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-20110230470-A1 SUBSTITUTED PYRAZOLO[4,3-C]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K3, MAP3K1, MAP3K19 F12 1864/4885ADORA1 2944/4885C5AR1 4324/4885
US-20090023745-A1 Substituted Pyrazolo[4,3-c]Pyridine Derivatives Active as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K19 F12 1864/4885ADORA1 2944/4885C5AR1 4324/4885

“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.