SCHEMBL5494034

SCHEMBL5494034

Nc1ccc(F)c(-c2ccc3nc(N)ncc3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.56
KDR P35968 4/20 0.56
JAK3 P52333 2/20 0.56
MAPK14 Q16539 2/20 0.56
MAP4K4 O95819 1/20 0.55
KIT P10721 6/20 0.46
SRC P12931 6/20 0.46
BRAF P15056 4/20 0.45
BACE1 P56817 1/20 0.44
RAF1 P04049 2/20 0.42
TEK Q02763 2/20 0.40
DHFR P00374 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40

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
SCHEMBL24457870 0.82 MAP4K4 (0.49) LCKKDRJAK3MAPK14MAP4K4
SCHEMBL5494572 0.82 LCK (0.56) LCKKDRJAK3MAPK14KIT
SCHEMBL5491016 0.82 LCK (0.56) LCKKDRJAK3MAPK14KIT
SCHEMBL5489139 0.82 LCK (0.72) LCKKDRJAK3MAPK14KIT
SCHEMBL5490378 0.82 LCK (0.52) LCKKDRJAK3MAPK14KIT
SCHEMBL5492816 0.79 LCK (0.72) LCKKDRJAK3MAPK14KIT
SCHEMBL5494272 0.79 LCK (0.58) LCKKDRJAK3MAPK14KIT
SCHEMBL5494305 0.79 LCK (0.56) LCKKDRJAK3MAPK14MAP4K4
SCHEMBL30912753 0.79 EGFR (0.57) LCKKDRJAK3MAPK14MAP4K4
SCHEMBL610225 0.79 EGFR (0.57) LCKKDRJAK3MAPK14MAP4K4

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 8 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 disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
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
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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-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.