SCHEMBL5490496

SCHEMBL5490496

Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(-c2ccc3nc(N)ncc3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.62
KDR P35968 11/20 0.62
JAK3 P52333 11/20 0.62
MAPK14 Q16539 11/20 0.62
TEK Q02763 4/20 0.59
KMT2A Q03164 1/20 0.54
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HPGD P15428 1/20 0.50
ALDH1A1 P00352 1/20 0.48
PTGES O14684 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
BRAF P15056 1/20 0.46

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
SCHEMBL5491950 0.92 LCK (0.57) LCKKDRJAK3MAPK14TEK
SCHEMBL5495531 0.87 LCK (0.68) LCKKDRJAK3MAPK14TEK
SCHEMBL5494231 0.86 LCK (0.67) LCKKDRJAK3MAPK14TEK
SCHEMBL14724674 0.84 LCK (0.65) LCKKDRJAK3MAPK14TEK
SCHEMBL14568831 0.84 LCK (0.62) LCKKDRJAK3MAPK14TEK
SCHEMBL5497542 0.83 LCK (0.64) LCKKDRJAK3MAPK14TEK
SCHEMBL5498353 0.83 LCK (0.77) LCKKDRJAK3MAPK14TEK
SCHEMBL5498481 0.82 LCK (0.57) LCKKDRJAK3MAPK14TEK
SCHEMBL5495910 0.80 LCK (0.62) LCKKDRJAK3MAPK14TEK
SCHEMBL5497228 0.80 LCK (0.70) 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.