SCHEMBL1593079

SCHEMBL1593079

O=[N+]([O-])c1cnc2[nH]nc(I)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KAT2B Q92831 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 3/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA2 P47869 1/20 0.36
HPGD P15428 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
PARP1 P09874 1/20 0.35
TDO2 P48775 1/20 0.34
NOS1 P29475 2/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL14236122 0.82 IDO1 (0.42) IDO1MEN1KMT2AALDH1A1KAT2B
SCHEMBL1593117 0.82 IDO1 (0.53) IDO1MEN1KMT2AALDH1A1KAT2B
SCHEMBL30908092 0.81 IDO1 (0.41) IDO1MEN1KMT2AALDH1A1KAT2B
SCHEMBL30505941 0.81 IDO1 (0.41) IDO1MEN1KMT2AALDH1A1KAT2B
SCHEMBL29026775 0.81 IDO1 (0.41) IDO1MEN1KMT2AALDH1A1KAT2B
SCHEMBL1593872 0.81 DYRK1A (0.41) IDO1MEN1KMT2AALDH1A1KAT2B
SCHEMBL1496184 0.81 IDO1 (0.41) IDO1MEN1KMT2AALDH1A1KAT2B
Hydrochloric Acid SCHEMBL1593031 0.81 IDO1 (0.51) IDO1MEN1KMT2AALDH1A1KAT2B
SCHEMBL1593429 0.81 ALDH1A1 (0.42) IDO1MEN1KMT2AALDH1A1KAT2B
SCHEMBL1496200 0.78 IDO1 (0.39) IDO1MEN1KMT2AALDH1A1KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9669028-B2 Substituted 5-(pyrazin-2-yl)-1H-pyrazolo [3, 4-B] pyridine and pyrazolo [3, 4-B] pyridine derivatives as protein kinase inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2017-06-06 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
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-04-21 US 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

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-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS BRAF, RAF1, ARAF IDO1 3410/4885MEN1 1680/4885KMT2A 3704/4885

“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.