SCHEMBL5491950

SCHEMBL5491950

COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(-c2ccc3nc(N)ncc3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.57
KDR P35968 9/20 0.57
JAK3 P52333 9/20 0.57
MAPK14 Q16539 9/20 0.57
TEK Q02763 3/20 0.54
POLB P06746 2/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 4/20 0.46
HTT P42858 3/20 0.45
SRC P12931 1/20 0.45
TYK2 P29597 1/20 0.45
SYK P43405 1/20 0.45
BTK Q06187 1/20 0.45
KCNMA1 Q12791 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL5490496 0.92 LCK (0.62) LCKKDRJAK3MAPK14TEK
SCHEMBL5490492 0.87 LCK (0.61) LCKKDRJAK3MAPK14TEK
SCHEMBL5501656 0.86 LCK (0.61) LCKKDRJAK3MAPK14TEK
SCHEMBL5489577 0.86 LCK (0.62) LCKKDRJAK3MAPK14TEK
SCHEMBL5490506 0.85 MAPK14 (0.68) LCKKDRJAK3MAPK14TEK
SCHEMBL14568839 0.85 LCK (0.57) LCKKDRJAK3MAPK14TEK
SCHEMBL5492974 0.85 LCK (0.61) LCKKDRJAK3MAPK14TEK
SCHEMBL5494831 0.85 LCK (0.64) LCKKDRJAK3MAPK14TEK
SCHEMBL5494196 0.85 LCK (0.67) LCKKDRJAK3MAPK14TEK
SCHEMBL5495900 0.84 LCK (0.71) 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 6 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

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.