SCHEMBL5497658

SCHEMBL5497658

CN1CCN(c2ccc(Nc3ncc4cc(-c5ccc(C(=O)NC6CC6)cc5)ccc4n3)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.69
JAK2 O60674 3/20 0.60
MAP4K1 Q92918 1/20 0.58
BRAF P15056 5/20 0.57
STK17A Q9UEE5 2/20 0.53
SYK P43405 1/20 0.53
RAF1 P04049 1/20 0.51
EGFR P00533 1/20 0.51
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
LCK P06239 1/20 0.51
KIT P10721 1/20 0.51
KDR P35968 1/20 0.51
MAPK9 P45984 1/20 0.51
MAPK10 P53779 1/20 0.51
MAPK14 Q16539 1/20 0.51

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 0.86 BRD4 (0.68) BRD4MAP4K1BRAFSTK17AEGFR
SCHEMBL5496970 0.85 BRD4 (0.58) BRD4JAK2MAP4K1BRAFSTK17A
SCHEMBL17526180 0.82 BRD4 (1.00) BRD4JAK2SYK
SCHEMBL17526187 0.81 BRD4 (1.00) BRD4JAK2SYKEGFRAURKA
SCHEMBL5496824 0.81 LCK (0.66) BRD4JAK2BRAFSYKEGFR
SCHEMBL14574760 0.78 BRD4 (0.56) BRD4JAK2MAP4K1SYKEGFR
SCHEMBL14574761 0.78 BRD4 (0.58) BRD4JAK2MAP4K1SYKEGFR
SCHEMBL5498340 0.78 LCK (0.66) BRD4JAK2MAP4K1EGFRLCK
SCHEMBL5497043 0.77 LCK (0.67) BRD4JAK2BRAFSYKEGFR
SCHEMBL1868371 0.76 AURKA (0.56) BRD4JAK2EGFRAURKAAURKB

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 395/4885JAK2 8/4885MAP4K1 33/4885

“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.