SCHEMBL1491001

SCHEMBL1491001

O=[N+]([O-])c1cnc2cc(OCCO)nn2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
ALKBH5 Q6P6C2 10/20 0.39
FTO Q9C0B1 3/20 0.39
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 2/20 0.35
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL1493281 0.85 BRAF (0.40) MAPTALKBH5FTOTDP1POLB
SCHEMBL1493305 0.83 MAPT (0.41) MAPTALKBH5FTOKDM4EPOLB
SCHEMBL1490692 0.80 MAPT (0.43) MAPTALKBH5FTOTDP1POLB
SCHEMBL1493328 0.77 KDM4E (0.37) KDM4ERECQLALDH1A1LMNATHRB
SCHEMBL1490944 0.77 MAPT (0.38) MAPTALKBH5FTOTDP1POLB
SCHEMBL1493350 0.74 ALKBH5 (0.44) MAPTALKBH5FTOALDH1A1
SCHEMBL1493336 0.73 ALKBH5 (0.61) MAPTALKBH5FTOKDM4ETHRB
SCHEMBL1493314 0.73 MAPT (0.63) MAPTALKBH5FTOKDM4EPOLB
SCHEMBL55612 0.72 HSPB1 (0.51) MAPTTSHRTDP1KDM4EPOLB
SCHEMBL1490967 0.71 MAPT (0.38) MAPTALKBH5FTOTDP1POLB

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 8 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
EP-2470539-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
US-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF 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
WO-2011025951-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF 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

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-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MAPT 900/4885ALKBH5 4874/4885FTO 4701/4885
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS BRAF, RAF1, ARAF MAPT 946/4885ALKBH5 4854/4885FTO 4425/4885

“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.