SCHEMBL5497040

SCHEMBL5497040

CNc1ncc2cc(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3Cl)ccc2n1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.82
KDR P35968 9/20 0.82
JAK3 P52333 9/20 0.82
MAPK14 Q16539 9/20 0.82
TEK Q02763 4/20 0.72
BRAF P15056 1/20 0.72
DDR2 Q16832 4/20 0.62
ABL1 P00519 1/20 0.53
KCNQ3 O43525 1/20 0.52
KCNQ2 O43526 1/20 0.52
KCNE1 P15382 1/20 0.52
KCNQ1 P51787 1/20 0.52

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
SCHEMBL5505188 0.90 LCK (1.00) LCKKDRJAK3MAPK14TEK
SCHEMBL5490502 0.86 LCK (1.00) LCKKDRJAK3MAPK14TEK
SCHEMBL5495578 0.85 LCK (0.66) LCKKDRJAK3MAPK14TEK
SCHEMBL5501133 0.83 LCK (1.00) LCKKDRJAK3MAPK14TEK
SCHEMBL5501115 0.83 LCK (0.65) LCKKDRJAK3MAPK14TEK
SCHEMBL24123576 0.82 LCK (0.81) LCKKDRJAK3MAPK14TEK
SCHEMBL5504013 0.82 LCK (0.74) LCKKDRJAK3MAPK14TEK
SCHEMBL5501280 0.81 LCK (1.00) LCKKDRJAK3MAPK14TEK
SCHEMBL5492992 0.80 LCK (1.00) LCKKDRJAK3MAPK14TEK
SCHEMBL5496275 0.80 LCK (1.00) 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
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US claimed
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

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.