SCHEMBL5490366

SCHEMBL5490366

Cc1ccncc1-c1ccc2nc(N[C@H]3CC[C@H](N)CC3)ncc2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.47
MAP4K1 Q92918 3/20 0.47
BRAF P15056 1/20 0.47
LCK P06239 2/20 0.47
KDR P35968 2/20 0.47
MAPK14 Q16539 2/20 0.47
JAK3 P52333 1/20 0.47
MAPK8 P45983 1/20 0.43
MAPK10 P53779 1/20 0.43
RIPK2 O43353 1/20 0.42
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
CCNT1 O60563 2/20 0.42
CDK9 P50750 2/20 0.42
FLT3 P36888 1/20 0.42
CCNK O75909 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK12 Q9NYV4 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
SCHEMBL5490369 1.00 ABL1 (0.47) ABL1MAP4K1BRAFLCKKDR
SCHEMBL5497234 0.89 RIPK2 (0.52) ABL1MAP4K1BRAFLCKKDR
SCHEMBL5498511 0.89 RIPK2 (0.52) ABL1MAP4K1BRAFLCKKDR
SCHEMBL5502650 0.88 BRAF (0.47) ABL1MAP4K1BRAFLCKKDR
SCHEMBL14568517 0.88 BRAF (0.47) ABL1MAP4K1BRAFLCKKDR
SCHEMBL5500764 0.88 IRAK4 (0.55) ABL1MAP4K1BRAFLCKKDR
SCHEMBL14568512 0.88 IRAK4 (0.55) ABL1MAP4K1BRAFLCKKDR
SCHEMBL14569050 0.87 LCK (0.56) ABL1LCKKDRMAPK14JAK3
SCHEMBL5492036 0.87 LCK (0.56) ABL1LCKKDRMAPK14JAK3
SCHEMBL5496954 0.86 BRAF (0.51) ABL1MAP4K1BRAFLCKKDR

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 10 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
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 ABL1 32/4885MAP4K1 33/4885BRAF 100/4885

“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.