SCHEMBL15274635

SCHEMBL15274635

COc1nc(N)cc(C(C)C)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.52
NOS3 P29474 4/20 0.52
NOS1 P29475 4/20 0.52
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
DYRK1A Q13627 1/20 0.33
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31
NCF1 P14598 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL18068102 0.85 ALDH1A1 (0.40) NOS2NOS3NOS1ALDH1A1SMN1; SMN2
SCHEMBL13351700 0.80 MAPT (0.41) NOS2NOS3NOS1ALDH1A1SMN1; SMN2
SCHEMBL799392 0.78 LMNA (0.47) NOS2NOS3NOS1ALDH1A1SMN1; SMN2
SCHEMBL12351912 0.78 NOS3 (0.39) NOS2NOS3NOS1ALDH1A1SMN1; SMN2
SCHEMBL798987 0.76 ALDH1A1 (0.39) NOS2NOS3NOS1ALDH1A1SMN1; SMN2
SCHEMBL12015758 0.74 NOS2 (0.59) NOS2NOS3NOS1ALDH1A1HRH3
SCHEMBL27114793 0.73 HRH4 (0.46) NOS2NOS3NOS1ALDH1A1SMN1; SMN2
SCHEMBL504020 0.72 LMNA (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL13351194 0.72 NOS3 (0.48) NOS2NOS3NOS1ALDH1A1MEN1
SCHEMBL7769935 0.72 NOS2 (0.63) NOS2NOS3NOS1ALDH1A1HRH3

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-9309240-B2 Pyrazolopyridine compounds, compositions and methods of use GENENTECH, INC. (US) 2016-04-12 US disclosed
US-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-09-26 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-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX5, P2RX4, P2RY1 NOS2 3719/4885NOS3 3323/4885NOS1 3515/4885

“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.