SCHEMBL5498481

SCHEMBL5498481

Cc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1-c1ccc2nc(N)ncc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.57
KDR P35968 6/20 0.57
JAK3 P52333 6/20 0.57
MAPK14 Q16539 6/20 0.57
TEK Q02763 4/20 0.57
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
PKM P14618 2/20 0.54
STAT3 P40763 8/20 0.52
MAPT P10636 2/20 0.49
THRB P10828 1/20 0.49
MAPK9 P45984 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 2/20 0.48
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL5504620 0.85 LCK (0.60) LCKKDRJAK3MAPK14TEK
SCHEMBL5489067 0.83 LCK (0.61) LCKKDRJAK3MAPK14TEK
SCHEMBL5495908 0.83 LCK (0.61) LCKKDRJAK3MAPK14TEK
SCHEMBL5490496 0.82 LCK (0.62) LCKKDRJAK3MAPK14TEK
SCHEMBL5489666 0.81 LCK (0.61) LCKKDRJAK3MAPK14TEK
SCHEMBL14715522 0.80 NPC1 (0.53) NPC1RAB9AMEN1KMT2APKM
SCHEMBL5504413 0.80 LCK (0.58) LCKKDRJAK3MAPK14TEK
SCHEMBL5490382 0.79 LCK (0.66) LCKKDRJAK3MAPK14TEK
SCHEMBL5498390 0.79 LCK (0.59) LCKKDRJAK3MAPK14TEK
SCHEMBL5497432 0.79 LCK (0.61) LCKKDRJAK3MAPK14TEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP claimed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP claimed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP claimed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US claimed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO claimed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 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 (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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 LCK 106/4885KDR 1044/4885JAK3 60/4885

“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.