SCHEMBL13360806

SCHEMBL13360806

N#Cc1cccc(-c2nc3[nH]nc(N)c3c3c2CCCC3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.44
ADORA1 P30542 3/20 0.43
MAP2K1 Q02750 1/20 0.41
MAP4K4 O95819 2/20 0.39
GSK3A P49840 1/20 0.39
XDH P47989 1/20 0.39
ADORA2B P29275 2/20 0.38
LRRK2 Q5S007 5/20 0.38
PIK3CD O00329 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
HCK P08631 1/20 0.38
SRC P12931 1/20 0.38
KDR P35968 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
EPHB4 P54760 1/20 0.38
PRKDC P78527 1/20 0.38
PI4KB Q9UBF8 1/20 0.38

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
SCHEMBL13329436 0.86 HRH3 (0.46) MAP2K1KDM4EALDH1A1HPGD
SCHEMBL13329530 0.84 LRRK2 (0.39) ADORA2AADORA1MAP2K1MAP4K4GSK3A
SCHEMBL13329329 0.83 HRH3 (0.46) ADORA2AMAP2K1KDM4EALDH1A1
SCHEMBL13360847 0.82 CHRNB4 (0.38) MAP2K1KDM4EALDH1A1HPGD
SCHEMBL13329432 0.82 ALDH1A1 (0.50) PIK3CDABL1EGFRKDRPIK3CA
SCHEMBL13329468 0.82 IKBKE (0.44) ADORA2AADORA1ADORA2BEGFRKDR
SCHEMBL13329420 0.81 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13329634 0.81 IKBKE (0.43) ADORA2AADORA1ADORA2BEGFRKDR
SCHEMBL13329626 0.81 EPHA4 (0.45) ADORA2AADORA1MAP2K1MAP4K4GSK3A
SCHEMBL13329610 0.80 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113415-A1 EPHA4 RTK INHIBITORS FOR TREATMENT OF NEUROLOGICAL AND NEURODEGENERATIVE DISORDERS AND CANCER MERCK SHARP & DOHME CORP 2010-05-06 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-20100113415-A1 EPHA4 RTK INHIBITORS FOR TREATMENT OF NEUROLOGICAL AND NEURODEGENERATIVE DISORDERS AND CANCER EPHA4, EPHA1, ERBB4 ADORA2A 583/4885ADORA1 377/4885MAP2K1 1455/4885

“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.