SCHEMBL6494650

SCHEMBL6494650

O=[N+]([O-])c1ccc2c(c1)CN(Cc1ccccn1)N2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
CFTR P13569 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GSK3B P49841 1/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
METAP1 P53582 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3320170 0.82 MEN1 (0.44) ALDH1A1KDM4EL3MBTL1CYP1A2CYP3A4
SCHEMBL6806299 0.73 ALDH1A1 (0.49) ALDH1A1KDM4ECFTRL3MBTL1CYP1A2
SCHEMBL15910713 0.72 PNMT (0.39) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL27376459 0.71 BRD4 (0.48) ALDH1A1KDM4ECFTRL3MBTL1CYP1A2
SCHEMBL30806562 0.71 BRD4 (0.48) ALDH1A1KDM4ECFTRL3MBTL1CYP1A2
SCHEMBL917196 0.70 BRD4 (0.51) ALDH1A1KDM4ECFTRL3MBTL1CYP1A2
SCHEMBL654959 0.69 ALDH1A1 (0.45) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL6493156 0.68 GRIN1 (0.49) ALDH1A1POLBMAPTMAPK1SMN1; SMN2
SCHEMBL31661395 0.68 CFTR (0.51) ALDH1A1KDM4ECFTRL3MBTL1CYP1A2
SCHEMBL3509099 0.68 CFTR (0.51) ALDH1A1KDM4ECFTRL3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881737-B2 Substituted triazinyl acrylamide derivatives and methods of use AMGEN INC. (US) 2005-04-19 US disclosed
EP-1390354-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS Amgen Inc. (US) 2004-02-25 EP disclosed
US-20030139416-A1 Substituted triazinyl acrylamide derivatives and methods of use AMGEN INC. 2003-07-24 US disclosed
WO-2002083653-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS AMGEN INC. (US) 2002-10-24 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-20030139416-A1 Substituted triazinyl acrylamide derivatives and methods of use PKD1, PKD2, GLS ALDH1A1 1130/4885KDM4E 3334/4885CFTR 22/4885

“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.