SCHEMBL5494577

SCHEMBL5494577

Cc1ccccc1-c1ccc2nc(Cl)ncc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.69
KDR P35968 1/20 0.69
JAK3 P52333 1/20 0.69
MAPK14 Q16539 1/20 0.69
BACE1 P56817 2/20 0.56
CTSD P07339 1/20 0.56
TRPA1 O75762 1/20 0.49
CLK4 Q9HAZ1 9/20 0.45
CYP1A2 P05177 9/20 0.45
CYP2C19 P33261 9/20 0.45
CYP3A4 P08684 8/20 0.45
TSHR P16473 7/20 0.45
ALDH1A1 P00352 7/20 0.45
CYP2D6 P10635 6/20 0.45
MAPK1 P28482 4/20 0.45
CYP2C9 P11712 2/20 0.45
ABL1 P00519 2/20 0.43
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL5491478 0.82 LCK (0.69) LCKKDRJAK3MAPK14BACE1
SCHEMBL5494575 0.82 LCK (1.00) LCKKDRJAK3MAPK14BACE1
SCHEMBL10962903 0.79 BACE1 (0.50) LCKKDRJAK3MAPK14BACE1
SCHEMBL26857255 0.76 CTSD (0.49) LCKKDRJAK3MAPK14BACE1
SCHEMBL17436303 0.75 LCK (0.42) LCKKDRJAK3MAPK14BACE1
SCHEMBL17653046 0.74 LCK (0.48) LCKKDRJAK3MAPK14ABL1
SCHEMBL28129923 0.74 BACE1 (0.54) LCKKDRJAK3MAPK14BACE1
SCHEMBL27263764 0.74 BTK (0.46) LCKKDRJAK3MAPK14BACE1
SCHEMBL30919841 0.74 BTK (0.46) LCKKDRJAK3MAPK14BACE1
SCHEMBL5501140 0.73 LCK (0.61) LCKKDRJAK3MAPK14BACE1

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 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
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.