SCHEMBL1592898

SCHEMBL1592898

O=[N+]([O-])c1ccc2[nH]nc(Br)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 8/20 0.36
ALDH1A1 P00352 4/20 0.36
NOS1 P29475 3/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
NOS2 P35228 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
MAOB P27338 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 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
SCHEMBL22160405 0.72 PDPK1 (0.34) NOS1
SCHEMBL25196663 0.69 KDM4E (0.41) KDM4EGAAMAPTALDH1A1NOS1
SCHEMBL30492597 0.69 KDM4E (0.41) KDM4EGAAMAPTALDH1A1NOS1
SCHEMBL23629267 0.69 SIRT2 (0.36) KMT2ATDP1
SCHEMBL254651 0.67 MAPT (0.61) MAPTALDH1A1NOS1CYP3A4ALOX15
SCHEMBL30235066 0.67 MAPT (0.61) MAPTALDH1A1NOS1CYP3A4ALOX15
SCHEMBL12588533 0.66 ALDH1A1 (0.42) KDM4EGAAMAPTALDH1A1CYP3A4
SCHEMBL1002218 0.66 ERN1 (0.38) KDM4EGAAMAPTALDH1A1CYP3A4
SCHEMBL8014109 0.66 KDM4E (0.43) KDM4EGAAMAPTALDH1A1NOS1
SCHEMBL29213685 0.66 GALR3 (0.51) KDM4EGAAMAPTMEN1KMT2A

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 5 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
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 KDM4E 3485/4885GAA 3107/4885MAPT 946/4885

“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.