SCHEMBL5496970

SCHEMBL5496970

CN1CCN(c2ccc(Nc3ncc4cc(-c5ccc(C(=O)Nc6ccc(Cl)cc6)cc5)ccc4n3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.58
MAP4K1 Q92918 1/20 0.58
RAB9A P51151 2/20 0.52
LCK P06239 3/20 0.52
MAPK14 Q16539 3/20 0.52
MAPKAPK2 P49137 1/20 0.52
BRAF P15056 3/20 0.52
BTK Q06187 2/20 0.52
EGFR P00533 1/20 0.52
KDR P35968 2/20 0.51
STK17A Q9UEE5 1/20 0.51
TNIK Q9UKE5 1/20 0.51
NPC1 O15118 1/20 0.50
JAK2 O60674 1/20 0.50

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
SCHEMBL5498779 0.92 BRD4 (0.68) BRD4MAP4K1RAB9ALCKMAPK14
SCHEMBL5497658 0.85 BRD4 (0.69) BRD4MAP4K1LCKMAPK14BRAF
SCHEMBL5496824 0.85 LCK (0.66) BRD4LCKMAPK14BRAFBTK
SCHEMBL5498340 0.84 LCK (0.66) BRD4MAP4K1LCKMAPK14EGFR
SCHEMBL5497043 0.81 LCK (0.67) BRD4LCKMAPK14BRAFBTK
SCHEMBL14724668 0.81 BRAF (0.54) BRD4MAP4K1LCKMAPK14BRAF
SCHEMBL5504722 0.78 LCK (0.68) BRD4MAP4K1LCKMAPK14KDR
SCHEMBL31163110 0.77 BRD4 (0.79) BRD4RAB9ANPC1JAK2
SCHEMBL5497607 0.77 LCK (0.61) BRD4MAP4K1LCKMAPK14BRAF
SCHEMBL1186427 0.76 PLK1 (0.85) BRD4KDR

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 BRD4 395/4885MAP4K1 33/4885RAB9A 3546/4885

“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.