SCHEMBL13329634

SCHEMBL13329634

Nc1n[nH]c2nc(-c3cccc(Cl)c3)c3c(c12)CCCCC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.43
JAK2 O60674 1/20 0.43
HTR7 P34969 2/20 0.43
EPHA4 P54764 1/20 0.40
KDR P35968 1/20 0.38
VHL P40337 1/20 0.38
CNR2 P34972 1/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
ADORA2B P29275 1/20 0.38
EGFR P00533 1/20 0.38
DPP4 P27487 1/20 0.38
DHFR P00374 1/20 0.38
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL13329468 0.99 IKBKE (0.44) IKBKEJAK2HTR7EPHA4KDR
SCHEMBL13329346 0.96 IKBKE (0.44) IKBKEJAK2HTR7EPHA4KDR
SCHEMBL13329626 0.86 EPHA4 (0.45) HTR7EPHA4KDRADORA2AADORA1
SCHEMBL13329610 0.85 ALDH1A1 (0.46) JAK2EPHA4KDM4ENPC1ALDH1A1
SCHEMBL13329432 0.84 ALDH1A1 (0.50) KDREGFRCHRNB4CHRNA3KDM4E
SCHEMBL13360847 0.84 CHRNB4 (0.38) EPHA4CHRNB4CHRNA3KDM4ENPC1
SCHEMBL13329461 0.84 HRH2 (0.42) HTR7EPHA4BCHE
SCHEMBL13329420 0.83 ALDH1A1 (0.47) JAK2EPHA4KDM4ENPC1ALDH1A1
SCHEMBL13329321 0.82 HTR7 (0.43) HTR7EPHA4KDRADORA2AADORA1
SCHEMBL13360806 0.81 ADORA2A (0.44) KDRADORA2AADORA1ADORA2BEGFR

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 2 patents. 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
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 IKBKE 829/4885JAK2 186/4885HTR7 603/4885

“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.