SCHEMBL5489346

SCHEMBL5489346

Cc1ccncc1-c1ccc2nc(NCCCCN3CCCC3)ncc2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.49
LCK P06239 6/20 0.49
KDR P35968 6/20 0.49
MAPK14 Q16539 6/20 0.49
MAPK9 P45984 2/20 0.48
MAPK10 P53779 2/20 0.48
KIT P10721 1/20 0.48
RIPK1 Q13546 1/20 0.47
RIPK3 Q9Y572 1/20 0.47
JAK3 P52333 3/20 0.46
MAP4K1 Q92918 1/20 0.46
SRC P12931 3/20 0.44
MKNK1 Q9BUB5 1/20 0.43
TYK2 P29597 1/20 0.42
SYK P43405 1/20 0.42
MAPK8 P45983 1/20 0.42
BTK Q06187 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ABL1 P00519 1/20 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
SCHEMBL5496363 0.83 LCK (0.53) BRAFLCKKDRMAPK14MAPK9
SCHEMBL5496353 0.83 LCK (0.53) BRAFLCKKDRMAPK14MAPK9
SCHEMBL5494563 0.77 RIPK1 (0.63) LCKKDRMAPK14MAPK9MAPK10
SCHEMBL5495980 0.76 MAPK14 (0.78) LCKKDRMAPK14MAPK9MAPK10
SCHEMBL5498367 0.76 SRC (0.58) LCKKDRMAPK14JAK3SRC
SCHEMBL5495587 0.76 BRAF (0.46) BRAFLCKKDRMAPK14MAPK9
SCHEMBL5499069 0.76 BRAF (0.49) BRAFLCKRIPK1RIPK3MAP4K1
SCHEMBL14715479 0.75 KDR (0.70) BRAFLCKKDRMAPK14MAPK9
SCHEMBL5496173 0.73 KDR (0.66) BRAFLCKKDRMAPK14MAPK9
SCHEMBL5502267 0.73 RIPK1 (0.70) LCKKDRMAPK14MAPK9MAPK10

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 13 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
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-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
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
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 BRAF 100/4885LCK 106/4885KDR 1044/4885

“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.