SCHEMBL5489669

SCHEMBL5489669

CCc1cccc(C)c1-c1ccc2nc(C(N)CCN)ncc2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.42
LCK P06239 10/20 0.39
KDR P35968 4/20 0.39
JAK3 P52333 1/20 0.39
MAPK14 Q16539 1/20 0.39
SRC P12931 10/20 0.37
KIT P10721 9/20 0.37
ABL1 P00519 4/20 0.36
BRAF P15056 2/20 0.36
PDGFRA P16234 1/20 0.35
FGFR4 P22455 2/20 0.34
FGFR1 P11362 1/20 0.34
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL5501140 0.81 LCK (0.61) AAK1LCKKDRJAK3MAPK14
Ammonia Solution, Strong SCHEMBL5502222 0.71 LCK (0.37) LCKKDRJAK3MAPK14SRC
SCHEMBL14568933 0.70 FGFR1 (0.58) KDRSRCFGFR4FGFR1
SCHEMBL42089 0.67 LCK (0.73) LCKKDRJAK3MAPK14SRC
SCHEMBL5492999 0.67 ABL1 (0.52) AAK1LCKKDRJAK3MAPK14
SCHEMBL5494660 0.62 LCK (0.64) LCKKDRJAK3MAPK14SRC
SCHEMBL13604913 0.61 SHBG (0.38)
SCHEMBL2573807 0.60 SRC (0.53) LCKSRCBRAFFGFR4FGFR1
SCHEMBL14244690 0.60 ABL1 (0.60) LCKKDRJAK3MAPK14SRC
SCHEMBL21363955 0.60 NOS3 (0.37)

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 5 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
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 AAK1 232/4885LCK 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.