SCHEMBL3723388

SCHEMBL3723388

O=[N+]([O-])c1c[nH]c2nccc(F)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.43
CASP6 P55212 2/20 0.40
ALDH1A1 P00352 5/20 0.38
TDP1 Q9NUW8 3/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
IDO1 P14902 1/20 0.38
RECQL P46063 1/20 0.38
TDO2 P48775 1/20 0.38
BLM P54132 1/20 0.38
RAB9A P51151 2/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 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
SCHEMBL858934 0.81 LRRK2 (0.50) METALDH1A1TDP1MAPTL3MBTL1
SCHEMBL4582883 0.81 MET (0.40) METALDH1A1TDP1MAPTKDM4E
SCHEMBL29955671 0.78 KMT2A (0.43) METALDH1A1TDP1MAPTKDM4E
SCHEMBL1468754 0.77 MET (0.35) METCASP6ALDH1A1TDP1MAPT
SCHEMBL2882516 0.74 AXL (0.41) METALDH1A1MAPTRAB9AJAK2
SCHEMBL14158703 0.74 MET (0.40) METALDH1A1TDP1MAPTKDM4E
SCHEMBL15155185 0.72 KDM4E (0.35) METALDH1A1TDP1MAPTL3MBTL1
SCHEMBL1468836 0.72 MAPT (0.35) METALDH1A1MAPTPKMTDO2
SCHEMBL29953624 0.72 KMT2A (0.46) METALDH1A1TDP1MAPTL3MBTL1
SCHEMBL1467726 0.72 ALDH1A1 (0.33) METALDH1A1TDP1MAPTKDM4E

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-8841304-B2 Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-23 US disclosed
US-20140221370-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-08-07 US disclosed
CN-101959887-B Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA INC 2013-07-31 CN disclosed
EP-2242755-B1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-12 EP disclosed
CN-101959887-A Pyrrolopyridine as kinase inhibitor ARRAY BIOPHARMA INC 2011-01-26 CN disclosed
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-12-23 US disclosed
EP-2242755-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-27 EP disclosed
WO-2009089352-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 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-20140221370-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B MET 2892/4885CASP6 2264/4885ALDH1A1 2477/4885
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B MET 2930/4885CASP6 2352/4885ALDH1A1 2396/4885

“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.