SCHEMBL5496969

SCHEMBL5496969

CNc1ncc2cc(-c3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3C)ccc2n1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 0.77
KDR P35968 17/20 0.77
MAPK14 Q16539 16/20 0.77
JAK3 P52333 14/20 0.77
TEK Q02763 4/20 0.77
BRAF P15056 1/20 0.77
DDR2 Q16832 1/20 0.59
SRC P12931 2/20 0.55
TYK2 P29597 2/20 0.55
SYK P43405 2/20 0.55
BTK Q06187 2/20 0.55
MAPK8 P45983 1/20 0.55
MAPK9 P45984 1/20 0.55
MAPK10 P53779 1/20 0.55

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
SCHEMBL5493060 0.89 LCK (0.77) LCKKDRMAPK14JAK3TEK
SCHEMBL5502255 0.88 LCK (0.60) LCKKDRMAPK14JAK3TEK
SCHEMBL5501133 0.87 LCK (1.00) LCKKDRMAPK14JAK3TEK
SCHEMBL5497264 0.86 LCK (0.58) LCKKDRMAPK14JAK3TEK
SCHEMBL5489515 0.84 LCK (0.59) LCKKDRMAPK14JAK3TEK
SCHEMBL5505188 0.82 LCK (1.00) LCKKDRMAPK14JAK3TEK
SCHEMBL5497141 0.81 LCK (0.83) LCKKDRMAPK14JAK3TEK
SCHEMBL5492992 0.81 LCK (1.00) LCKKDRMAPK14JAK3TEK
SCHEMBL5491906 0.80 LCK (1.00) LCKKDRMAPK14JAK3TEK
SCHEMBL13220029 0.80 ABL1 (0.64) LCKKDRMAPK14JAK3TEK

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
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP claimed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US 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 LCK 106/4885KDR 1044/4885MAPK14 301/4885

“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.