SCHEMBL22909708

SCHEMBL22909708

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F12 P00748 3/20 0.49
ADORA1 P30542 2/20 0.45
NR1H2 P55055 1/20 0.44
C5AR1 P21730 6/20 0.43
MAPT P10636 3/20 0.40
ESR2 Q92731 1/20 0.40
GRAMD1A Q96CP6 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PIK3CD O00329 1/20 0.37
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37

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
SCHEMBL25796716 0.84 C5AR1 (0.41) F12ADORA1NR1H2C5AR1MAPT
SCHEMBL15636157 0.80 ADORA1 (0.48) F12ADORA1NR1H2C5AR1MAPT
SCHEMBL1885657 0.79 F12 (0.57) F12ADORA1NR1H2C5AR1MAPT
SCHEMBL2074792 0.78 C5AR1 (0.39) F12ADORA1NR1H2C5AR1MAPT
SCHEMBL21183650 0.76 F12 (0.52) F12ADORA1NR1H2C5AR1MAPT
SCHEMBL25796715 0.75 NR1H2 (0.42) F12ADORA1NR1H2C5AR1MAPT
SCHEMBL21725722 0.75 C5AR1 (0.67) F12ADORA1NR1H2C5AR1MAPT
SCHEMBL18852439 0.75 ESR2 (0.39) F12ADORA1NR1H2C5AR1MAPT
SCHEMBL15333088 0.74 C5AR1 (0.46) F12ADORA1NR1H2C5AR1MAPT
SCHEMBL29504891 0.74 C5AR1 (0.42) F12ADORA1NR1H2C5AR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210017176-A1 PYRAZOLOPYRIDINE DERIVATIVE HAVING GLP-1 RECEPTOR AGONIST EFFECT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-01-21 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-20210017176-A1 PYRAZOLOPYRIDINE DERIVATIVE HAVING GLP-1 RECEPTOR AGONIST EFFECT GLP1R, GPR119, GIPR F12 4372/4885ADORA1 534/4885NR1H2 1351/4885

“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.