SCHEMBL13329326

SCHEMBL13329326

Nc1n[nH]c2nc(-c3ccccc3F)c3c(c12)CCC3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA4 P54764 3/20 0.45
HTR7 P34969 2/20 0.41
CHUK O15111 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.37
ADORA2A P29274 1/20 0.36
BCHE P06276 1/20 0.35
KDR P35968 3/20 0.35
MAPK14 Q16539 2/20 0.35
DAPK3 O43293 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
LCK P06239 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
IGF1R P08069 1/20 0.35
MET P08581 1/20 0.35
PDGFRB P09619 1/20 0.35

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
SCHEMBL13329630 0.96 EPHA4 (0.47) EPHA4HTR7CHUKDCUN1D1ADORA2A
SCHEMBL13329333 0.88 EPHA4 (0.45) EPHA4KDRMAPK14DAPK3PRKD3
SCHEMBL13329315 0.86 EPHA4 (0.62) EPHA4HTR7DCUN1D1ADORA2ABCHE
SCHEMBL13329343 0.85 EPHA4 (0.62) EPHA4HTR7DCUN1D1BCHEMAPK14
SCHEMBL13360769 0.84 HTR7 (0.38) EPHA4HTR7CHUKDCUN1D1ADORA2A
SCHEMBL13329553 0.83 HTR7 (0.36) EPHA4HTR7CHUKDCUN1D1ADORA2A
SCHEMBL13329511 0.83 HTR7 (0.36) EPHA4HTR7CHUKDCUN1D1ADORA2A
SCHEMBL13329477 0.82 EPHA4 (0.66) EPHA4HTR7DCUN1D1BCHEMAPK14
SCHEMBL13329614 0.82 EPHA4 (0.64) EPHA4HTR7DCUN1D1ADORA2ABCHE
SCHEMBL13329332 0.81 EPHA4 (0.46) EPHA4HTR7DCUN1D1ADORA2ADPP4

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 EPHA4 1/4885HTR7 603/4885CHUK 505/4885

“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.