SCHEMBL1496236

SCHEMBL1496236

CC(=O)Nc1n[nH]c2ncc([N+](=O)[O-])cc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
GAA P10253 1/20 0.49
DYRK1A Q13627 3/20 0.45
CDK2 P24941 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GSK3B P49841 1/20 0.38
GLA P06280 1/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.37
CYP19A1 P11511 1/20 0.37
NQO2 P16083 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7261192 0.86 ALDH1A1 (0.42) CYP1A2GAACDK2SMN1; SMN2ALDH1A1
SCHEMBL1496200 0.83 IDO1 (0.39) GAACDK2SMN1; SMN2ALDH1A1GSK3B
SCHEMBL1593232 0.80 ALDH1A1 (0.42) GAACDK2SMN1; SMN2ALDH1A1GSK3B
SCHEMBL1461245 0.78 CDK2 (0.65) CYP1A2GAADYRK1ACDK2SMN1; SMN2
SCHEMBL1593872 0.77 DYRK1A (0.41) CYP1A2GAADYRK1AALDH1A1GLA
SCHEMBL1593429 0.77 ALDH1A1 (0.42) GAASMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL14236122 0.75 IDO1 (0.42) ALDH1A1GLAMAPK1MAPTPOLB
SCHEMBL1593117 0.75 IDO1 (0.53) CDK2ALDH1A1MAPTPOLBNPC1
SCHEMBL12726035 0.75 DYRK1A (0.45) DYRK1ACDK2GSK3BMAPK1
SCHEMBL914646 0.74 GAA (0.54) CYP1A2GAADYRK1ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394795-B2 Pyrazole [3, 4-B] pyridine Raf inhibitors ARRAY BIOPHARMA INC. (US) 2013-03-12 US disclosed
US-8394795-B2 Pyrazole [3, 4-B] pyridine Raf inhibitors ARRAY BIOPHARMA INC. (US) 2013-03-12 US disclosed
US-8394795-B2 Pyrazole [3, 4-B] pyridine Raf inhibitors ARRAY BIOPHARMA INC. (US) 2013-03-12 US disclosed
EP-2265610-B1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-12-12 EP disclosed
EP-2265610-B1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-12-12 EP disclosed
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
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-04-21 US disclosed
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-04-21 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
EP-2265610-A1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111279-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed
WO-2009111279-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 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 (2 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 CYP1A2 3024/4885GAA 2940/4885DYRK1A 552/4885
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS BRAF, RAF1, ARAF CYP1A2 1083/4885GAA 3107/4885DYRK1A 626/4885

“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.