SCHEMBL1496232

SCHEMBL1496232

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
CNR2 P34972 4/20 0.39
MAPK1 P28482 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
CNR1 P21554 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
ACHE P22303 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GRM4 Q14833 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL1495243 0.85 MAPK1 (0.43) CNR2MAPK1CNR1ACHE
SCHEMBL1496209 0.84 SNCA (0.39) CNR2MAPK1CNR1ACHEALDH1A1
SCHEMBL1496205 0.84 TSHR (0.42) CNR2MAPK1CNR1GAAACHE
SCHEMBL1496243 0.83 CNR2 (0.43) CNR2MAPK1CNR1ACHEALDH1A1
SCHEMBL1495298 0.80 CNR2 (0.44) CNR2MAPTKMT2AMEN1NPC1
SCHEMBL1496219 0.78 MAPK1 (0.40) CHRNB2CHRNA4MAPK1GRM4
SCHEMBL1496234 0.78 CNR2 (0.39) CNR2CNR1KDM4EGAAALDH1A1
SCHEMBL1496182 0.77 MAP3K20 (0.38) CNR2MAPK1CNR1GAAALDH1A1
SCHEMBL1593429 0.76 ALDH1A1 (0.42) KDM4EGAAALDH1A1MAPTKMT2A
SCHEMBL3327132 0.76 CHRNB2 (0.50) CHRNB2CHRNA4KDM4EGAAALDH1A1

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 CHRNB2 3169/4885CHRNA4 4005/4885CNR2 3396/4885

“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.