SCHEMBL5494066

SCHEMBL5494066

Cc1ccccc1-c1ccc2nc(NC3CCN(Cc4ccccc4)CC3)ncc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.48
BACE1 P56817 7/20 0.48
LCK P06239 2/20 0.47
KDR P35968 2/20 0.47
MAPK14 Q16539 2/20 0.47
JAK3 P52333 1/20 0.47
BCHE P06276 1/20 0.46
KDM1A O60341 2/20 0.46
EHMT2 Q96KQ7 2/20 0.46
RCOR1 Q9UKL0 1/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NSD2 O96028 1/20 0.45
MAPT P10636 1/20 0.45
NTSR1 P30989 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL5497416 0.94 CXCR4 (0.49) ACHEBACE1LCKKDRMAPK14
SCHEMBL1517393 0.82 CCNE1 (0.53) LCKKDRMAPK14JAK3
SCHEMBL5492036 0.81 LCK (0.56) BACE1LCKKDRMAPK14JAK3
SCHEMBL5492979 0.81 RIPK2 (0.64) BACE1LCKKDRMAPK14JAK3
SCHEMBL14569050 0.81 LCK (0.56) BACE1LCKKDRMAPK14JAK3
SCHEMBL14569053 0.81 RIPK2 (0.64) BACE1LCKKDRMAPK14JAK3
SCHEMBL4222309 0.75 ACHE (0.55) ACHEBACE1BCHELMNARAB9A
SCHEMBL16538514 0.75 ACHE (0.60) ACHEBACE1BCHELMNAMAPT
SCHEMBL12367068 0.74 ACHE (0.56) ACHEBACE1BCHELMNARAB9A
SCHEMBL3675486 0.74 CCNE1 (0.48) ACHELCKMAPK14BCHEKDM1A

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 ACHE 3749/4885BACE1 3036/4885LCK 106/4885

“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.