SCHEMBL5497416

SCHEMBL5497416

Cc1ccccc1-c1ccc2nc(NC3CCN(Cc4ccccc4)C3)ncc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.49
OPRK1 P41145 1/20 0.46
BCHE P06276 3/20 0.45
LCK P06239 3/20 0.45
KDR P35968 3/20 0.45
MAPK14 Q16539 3/20 0.45
JAK3 P52333 1/20 0.45
ROCK2 O75116 4/20 0.45
ROCK1 Q13464 2/20 0.45
CCR2 P41597 1/20 0.45
ACHE P22303 5/20 0.44
BACE1 P56817 3/20 0.44
CNR1 P21554 1/20 0.43
MALT1 Q9UDY8 1/20 0.43
KDM1A O60341 1/20 0.43
EHMT2 Q96KQ7 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
SCN1A P35498 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
DRD2 P14416 1/20 0.42

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
SCHEMBL5494066 0.94 ACHE (0.48) BCHELCKKDRMAPK14JAK3
SCHEMBL1517393 0.78 CCNE1 (0.53) LCKKDRMAPK14JAK3
SCHEMBL5492979 0.77 RIPK2 (0.64) LCKKDRMAPK14JAK3BACE1
SCHEMBL14569053 0.77 RIPK2 (0.64) LCKKDRMAPK14JAK3BACE1
SCHEMBL5492036 0.77 LCK (0.56) LCKKDRMAPK14JAK3BACE1
SCHEMBL14569050 0.77 LCK (0.56) LCKKDRMAPK14JAK3BACE1
SCHEMBL4216124 0.76 CXCR4 (0.56) CXCR4OPRK1BCHEROCK2ROCK1
SCHEMBL3673858 0.74 MAPK14 (0.51) CXCR4LCKMAPK14MAPK9MAPK10
SCHEMBL3673118 0.74 MAPK14 (0.51) CXCR4LCKMAPK14MAPK9MAPK10
SCHEMBL4232077 0.73 CXCR4 (0.55) CXCR4OPRK1BCHEROCK2ROCK1

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 6 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
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US 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 CXCR4 1128/4885OPRK1 400/4885BCHE 2535/4885

“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.