SCHEMBL5498779

SCHEMBL5498779

CN1CCN(c2ccc(Nc3ncc4cc(-c5ccc(C(=O)Nc6ccccc6)cc5)ccc4n3)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.68
MAP4K1 Q92918 1/20 0.66
KDR P35968 3/20 0.59
LCK P06239 2/20 0.59
MAPK14 Q16539 2/20 0.59
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
BRAF P15056 3/20 0.56
EGFR P00533 2/20 0.56
AURKA O14965 1/20 0.53
FLT3 P36888 1/20 0.53
ALK Q9UM73 1/20 0.52
STK17A Q9UEE5 1/20 0.52
RIPK1 Q13546 1/20 0.51
RIPK3 Q9Y572 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
SCHEMBL5496970 0.92 BRD4 (0.58) BRD4MAP4K1KDRLCKMAPK14
SCHEMBL14724668 0.89 BRAF (0.54) BRD4MAP4K1KDRLCKMAPK14
SCHEMBL5496824 0.89 LCK (0.66) BRD4KDRLCKMAPK14BRAF
SCHEMBL5498340 0.86 LCK (0.66) BRD4MAP4K1KDRLCKMAPK14
SCHEMBL5497658 0.86 BRD4 (0.69) BRD4MAP4K1KDRLCKMAPK14
SCHEMBL5497043 0.82 LCK (0.67) BRD4KDRLCKMAPK14BRAF
SCHEMBL17526046 0.81 BRD4 (1.00) BRD4KDRLCKMAPK14NPC1
SCHEMBL4721744 0.80 LCK (0.81) BRD4KDRLCKMAPK14NPC1
SCHEMBL13154272 0.78 LCK (0.90) BRD4KDRLCKMAPK14
SCHEMBL5504722 0.78 LCK (0.68) BRD4MAP4K1KDRLCKMAPK14

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 33/4885KDR 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.