SCHEMBL5501070

SCHEMBL5501070

Nc1ncc2cc(-c3ccc(F)c(NC(=O)c4cc(F)cc(C(F)(F)F)c4)c3)ccc2n1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.60
KDR P35968 7/20 0.52
TEK Q02763 6/20 0.52
JAK3 P52333 4/20 0.52
MAPK14 Q16539 4/20 0.52
TNKS O95271 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
ACLY P53396 1/20 0.43
HDAC2 Q92769 1/20 0.41
KIT P10721 1/20 0.41
SRC P12931 1/20 0.41
EPHB4 P54760 1/20 0.41
PIK3CA P42336 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
SCHEMBL5492688 0.84 LCK (0.73) LCKKDRTEKJAK3MAPK14
SCHEMBL5495633 0.84 LCK (0.64) LCKKDRTEKJAK3MAPK14
Hydrochloric Acid SCHEMBL5499050 0.83 LCK (0.72) LCKKDRTEKJAK3MAPK14
SCHEMBL5491591 0.83 LCK (0.53) LCKKDRTEKJAK3MAPK14
SCHEMBL5489148 0.83 LCK (0.56) LCKKDRTEKJAK3MAPK14
SCHEMBL5498105 0.81 LCK (0.79) LCKKDRTEKJAK3MAPK14
SCHEMBL5498988 0.80 ABCB1 (0.51) LCKKDRTEKJAK3MAPK14
SCHEMBL5497120 0.79 LCK (0.82) LCKKDRTEKJAK3MAPK14
SCHEMBL5491872 0.79 LCK (0.64) LCKKDRTEKJAK3MAPK14
SCHEMBL5492387 0.79 LCK (0.74) LCKKDRTEKJAK3MAPK14

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 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
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
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 1044/4885TEK 836/4885

“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.