SCHEMBL5488838

SCHEMBL5488838

Nc1cccc(-c2ccc3nc(N)ncc3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 5/20 0.61
LCK P06239 5/20 0.57
KDR P35968 1/20 0.57
JAK3 P52333 1/20 0.57
MAPK14 Q16539 1/20 0.57
MAP3K5 Q99683 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.46
PSIP1 O75475 1/20 0.46
AXL P30530 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
MAOA P21397 1/20 0.46
SRC P12931 3/20 0.45
KIT P10721 2/20 0.45
BACE1 P56817 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 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
SCHEMBL2741576 0.86 LCK (0.65) MAP4K4LCKKDRJAK3MAPK14
SCHEMBL5494272 0.84 LCK (0.58) LCKKDRJAK3MAPK14NPC1
SCHEMBL17803857 0.84 LCK (0.62) MAP4K4LCKKDRJAK3MAPK14
SCHEMBL12575968 0.84 SRC (0.61) MAP4K4LCKKDRJAK3MAPK14
SCHEMBL24335889 0.81 PIK3CA (0.55) LCKKDRJAK3MAPK14MEN1
Benzene SCHEMBL28800797 0.80 EGFR (0.53) MAP4K4LCKKDRJAK3MAPK14
SCHEMBL21416840 0.80 LCK (0.55) MAP4K4LCKKDRJAK3MAPK14
SCHEMBL610225 0.80 EGFR (0.57) MAP4K4LCKKDRJAK3MAPK14
SCHEMBL30912753 0.80 EGFR (0.57) MAP4K4LCKKDRJAK3MAPK14
SCHEMBL5496333 0.79 LCK (0.59) MAP4K4LCKKDRJAK3MAPK14

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 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 MAP4K4 38/4885LCK 106/4885KDR 1044/4885

“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.