SCHEMBL1495243

SCHEMBL1495243

COCCOc1n[nH]c2ncc([N+](=O)[O-])cc12

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 13/20 0.43
CNR2 P34972 4/20 0.43
CNR1 P21554 2/20 0.39
ACHE P22303 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL1496205 0.86 TSHR (0.42) MAPK1CNR2CNR1ACHE
SCHEMBL1496209 0.86 SNCA (0.39) MAPK1CNR2CNR1ACHE
SCHEMBL1496243 0.85 CNR2 (0.43) MAPK1CNR2CNR1ACHE
SCHEMBL1495298 0.85 CNR2 (0.44) CNR2
SCHEMBL1496232 0.85 CHRNB2 (0.45) MAPK1CNR2CNR1ACHE
SCHEMBL1496234 0.80 CNR2 (0.39) CNR2CNR1LMNA
SCHEMBL1496182 0.79 MAP3K20 (0.38) MAPK1CNR2CNR1
SCHEMBL1593429 0.78 ALDH1A1 (0.42)
SCHEMBL1496180 0.77 MAPK1 (0.44) MAPK1
SCHEMBL1496235 0.77 CNR2 (0.36) CNR2CNR1LMNA

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
EP-2470532-A1 1H-PYRAZOLO [ 3, 4-B]PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
US-20120157452-A1 1H-PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE GENENTECH, INC. (US) 2012-06-21 US disclosed
WO-2011025968-A1 1H-PYRAZOLO [ 3, 4-B] PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE ARRAY BIOPHARMA INC. (US) 2011-03-03 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-20120157452-A1 1H-PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE BRAF, RAF1, ARAF MAPK1 33/4885CNR2 3396/4885CNR1 2947/4885

“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.