SCHEMBL5489837

SCHEMBL5489837

CNc1ncc2cc(-c3cc(Nc4nc5cc(F)c(F)cc5[nH]4)ccc3C)ccc2n1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCK P06239 15/20 0.76
KDR P35968 14/20 0.76
MAPK14 Q16539 13/20 0.76
JAK3 P52333 9/20 0.50
BRAF P15056 4/20 0.45
TEK Q02763 3/20 0.45
HDAC11 Q96DB2 1/20 0.40
DDR2 Q16832 1/20 0.39
SRC P12931 1/20 0.37
TYK2 P29597 1/20 0.37
SYK P43405 1/20 0.37
BTK Q06187 1/20 0.37

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
SCHEMBL5493530 0.87 LCK (0.75) LCKKDRMAPK14JAK3BRAF
SCHEMBL5491692 0.85 LCK (0.88) LCKKDRMAPK14JAK3BRAF
SCHEMBL5503944 0.82 LCK (0.67) LCKKDRMAPK14JAK3BRAF
SCHEMBL5492853 0.81 KDR (0.67) LCKKDRMAPK14JAK3SRC
SCHEMBL14593541 0.79 LCK (0.61) LCKKDRMAPK14JAK3BRAF
SCHEMBL5496586 0.79 LCK (0.74) LCKKDRMAPK14JAK3BRAF
SCHEMBL5503692 0.72 LCK (0.68) LCKKDRMAPK14JAK3BRAF
SCHEMBL5489201 0.71 LCK (0.53) LCKKDRMAPK14JAK3BRAF
SCHEMBL5498079 0.71 KDR (0.65) LCKKDRMAPK14JAK3DDR2
SCHEMBL5501586 0.71 EGFR (0.55) LCKKDRMAPK14JAK3

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
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
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 1044/4885MAPK14 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.