SCHEMBL1496243

SCHEMBL1496243

CCOc1n[nH]c2ncc([N+](=O)[O-])cc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.43
MAPT P10636 5/20 0.42
POLB P06746 1/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
BRAF P15056 2/20 0.40
CNR1 P21554 2/20 0.40
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
IDO1 P14902 1/20 0.37
ACHE P22303 1/20 0.36
KAT2B Q92831 1/20 0.35
MAPK1 P28482 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL1495298 0.86 CNR2 (0.44) CNR2MAPTKMT2AMEN1BRAF
SCHEMBL1495243 0.85 MAPK1 (0.43) CNR2CNR1ACHEMAPK1
SCHEMBL1496209 0.84 SNCA (0.39) CNR2MAPTPOLBKMT2AMEN1
SCHEMBL1496205 0.84 TSHR (0.42) CNR2MAPTGLACNR1HTT
SCHEMBL1496234 0.83 CNR2 (0.39) CNR2MAPTPOLBGLAKMT2A
SCHEMBL1496232 0.83 CHRNB2 (0.45) CNR2MAPTKMT2AMEN1CNR1
SCHEMBL1496182 0.82 MAP3K20 (0.38) CNR2MAPTKMT2AMEN1BRAF
SCHEMBL1593429 0.81 ALDH1A1 (0.42) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL1496210 0.80 IDO1 (0.38) CNR2MAPTPOLBGLAKMT2A
SCHEMBL1496235 0.80 CNR2 (0.36) CNR2MAPTPOLBGLAKMT2A

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 CNR2 3396/4885MAPT 1045/4885POLB 1620/4885

“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.