SCHEMBL1613646

SCHEMBL1613646

N#Cc1cnn(-c2cccc(C(=O)O)c2)c1N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.71
KMT2A Q03164 5/20 0.64
MEN1 O00255 3/20 0.51
KDM4E B2RXH2 2/20 0.51
GAA P10253 2/20 0.48
GLA P06280 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
MAPK14 Q16539 4/20 0.48
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.44
HSP90AA1 P07900 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43

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
SCHEMBL13430473 0.86 XDH (0.74) XDHKMT2AMEN1KDM4EMAPK14
SCHEMBL1624241 0.86 XDH (0.74) XDHKMT2AMEN1KDM4EMAPK14
SCHEMBL3879537 0.85 KMT2A (0.62) XDHKMT2AMEN1KDM4EGAA
SCHEMBL13430464 0.83 XDH (1.00) XDHKMT2AMEN1KDM4EMAPK14
SCHEMBL8046909 0.82 KMT2A (0.61) XDHKMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL7826861 0.81 MAPK14 (0.62) KMT2AMEN1GAAMAPK14MAPT
SCHEMBL1143393 0.81 KMT2A (0.70) XDHKMT2AMEN1KDM4EGAA
SCHEMBL12795372 0.80 KMT2A (0.74) XDHKMT2AMEN1KDM4EGLA
SCHEMBL12998741 0.80 XDH (0.69) XDHKMT2AMEN1KDM4EMAPK14
SCHEMBL60939 0.80 KMT2A (0.71) XDHKMT2AMEN1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8585781-B2 Azo compound, aqueous solution, ink composition, ink for inkjet recording, inkjet recording method, ink cartridge for inkjet recording, and inkjet record FUJIFILM CORPORATION (JP) 2013-11-19 US disclosed
US-20130139723-A1 NOVEL AZO COMPOUND, AQUEOUS SOLUTION, INK COMPOSITION, INK FOR INKJET RECORDING, INKJET RECORDING METHOD, INK CARTRIDGE FOR INKJET RECORDING, AND INKJET RECORD FUJIFILM CORPORATION (JP) 2013-06-06 US disclosed
EP-1827444-B1 MNK1 OR MNK2 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-05-15 EP disclosed
US-8399664-B2 Coloring matter, ink, ink for ink jet, ink jet recording method, color toner, and color filter FUJIFILM CORPORATION (JP) 2013-03-19 US disclosed
US-8262789-B2 Coloring matter, ink, ink for ink jet, ink jet recording method, color toner, and color filter FUJIFILM CORPORATION (JP) 2012-09-11 US disclosed
US-20120095195-A1 COLORING MATTER, INK, INK FOR INK JET, INK JET RECORDING METHOD, COLOR TONER, AND COLOR FILTER FUJIFILM CORPORATION (JP) 2012-04-19 US disclosed
US-20120095194-A1 COLORING MATTER, INK, INK FOR INK JET, INK JET RECORDING METHOD, COLOR TONER, AND COLOR FILTER FUJIFILM CORPORATION (JP) 2012-04-19 US disclosed
US-20120088910-A1 COLORING MATTER, INK, INK FOR INK JET, INK JET RECORDING METHOD, COLOR TONER, AND COLOR FILTER FUJIFILM CORPORATION (JP) 2012-04-12 US disclosed
US-20100063262-A1 PROCESS FOR PRODUCING 5-AMINOPYRAZOLE DERIVATIVE, AND AZO DYE FUJIFILM CORPORATION (JP) 2010-03-11 US disclosed
US-20100063262-A1 PROCESS FOR PRODUCING 5-AMINOPYRAZOLE DERIVATIVE, AND AZO DYE FUJIFILM CORPORATION (JP) 2010-03-11 US disclosed
US-20090163520-A1 MNK1 or MNK2 Inhibitors DEVELOGEN AKTIENGESELLSCHAFT (DE) 2009-06-25 US disclosed
US-20090163520-A1 MNK1 or MNK2 Inhibitors DEVELOGEN AKTIENGESELLSCHAFT (DE) 2009-06-25 US disclosed
EP-1827444-A2 MNK1 OR MNK2 INHIBITORS DeveloGen Aktiengesellschaft (DE) 2007-09-05 EP disclosed
EP-1746099-A1 Mnk1 or Mnk2 inhibitors DeveloGen Aktiengesellschaft (DE) 2007-01-24 EP disclosed
EP-1746099-A1 Mnk1 or Mnk2 inhibitors DeveloGen Aktiengesellschaft (DE) 2007-01-24 EP disclosed
WO-2006066937-A2 MNK1 OR MNK2 INHIBITORS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-06-29 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 (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-20090163520-A1 MNK1 or MNK2 Inhibitors NEK9, CMPK1, NEK2 XDH 2018/4885KMT2A 877/4885MEN1 703/4885
US-20120088910-A1 COLORING MATTER, INK, INK FOR INK JET, INK JET RECORDING METHOD, COLOR TONER, AND COLOR FILTER H1-5, IK, H1-2 XDH 1634/4885KMT2A 222/4885MEN1 2039/4885
US-20100063262-A1 PROCESS FOR PRODUCING 5-AMINOPYRAZOLE DERIVATIVE, AND AZO DYE H1-5, CYP3A5, IL5 XDH 100/4885KMT2A 609/4885MEN1 3034/4885

“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.