SCHEMBL13262134

SCHEMBL13262134

Nc1ccnc2ccoc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.43
NR4A2 P43354 3/20 0.38
SOS2 Q07890 1/20 0.38
DYRK1A Q13627 2/20 0.34
LOXL2 Q9Y4K0 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.30
PTPN11 Q06124 1/20 0.30

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
SCHEMBL30504301 1.00 NCF1 (0.43) NCF1NR4A2SOS2DYRK1ALOXL2
SCHEMBL29487180 0.77 NR4A2 (0.34) NCF1NR4A2SOS2MEN1MAPT
SCHEMBL2798723 0.77 NR4A2 (0.34) NCF1NR4A2SOS2MEN1MAPT
SCHEMBL29446635 0.73 IRAK4 (0.30) IRAK4
SCHEMBL15339587 0.73 PRKCI (0.32) IRAK4
SCHEMBL6265023 0.73 IRAK4 (0.30) IRAK4
SCHEMBL13454732 0.73 CCR1 (0.38) MAPTIRAK4
SCHEMBL9043526 0.72 LOXL2 (0.33) LOXL2
SCHEMBL10280662 0.72 LOXL2 (0.33) LOXL2IRAK4
SCHEMBL20265612 0.72 IKBKE (0.33) IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2804859-B1 NOVEL FAP INHIBITORS UNIV ANTWERPEN (BE) 2019-06-12 EP disclosed
EP-2872511-B1 IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-01-16 EP disclosed
EP-2714677-B1 PYRIDINE-AND PYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-08-22 EP disclosed
WO-2018119036-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN BIOTECH, INC. (US) 2018-06-28 WO disclosed
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN-CILAG (FR) 2018-06-21 US disclosed
US-9273029-B2 Pyridine-and pyrazine derivatives MERCK PATENT GMBH (DE) 2016-03-01 US disclosed
US-20140142097-A1 PYRIDINE-AND PYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-05-22 US disclosed
US-8378104-B2 7-aminofuropyridine derivatives OSI Pharmaceuticals, LLC (US) 2013-02-19 US disclosed
WO-2012161877-A1 PYRIDINE-AND PYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-11-29 WO disclosed
US-20100168123-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2010-07-01 US 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 (3 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-20100168123-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 NCF1 1585/4885NR4A2 2248/4885SOS2 644/4885
US-20140142097-A1 PYRIDINE-AND PYRAZINE DERIVATIVES TBK1, IRAK1, IRAK2 NCF1 792/4885NR4A2 669/4885SOS2 4224/4885
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS MALT1, PPP3R1, SQSTM1 NCF1 2448/4885NR4A2 1278/4885SOS2 3713/4885

“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.