SCHEMBL13329319

SCHEMBL13329319

Nc1n[nH]c2nc(-c3ccc(F)cc3)c3c(c12)CCC3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA4 P54764 1/20 0.44
HRH2 P25021 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MAPK14 Q16539 3/20 0.42
KDR P35968 2/20 0.42
DAPK3 O43293 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
IGF1R P08069 1/20 0.42
MET P08581 1/20 0.42
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PRKACA P17612 1/20 0.42
FLT1 P17948 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
SCHEMBL13329354 0.86 EPHA4 (0.41) EPHA4MAPK14KDRDAPK3PRKD3
SCHEMBL13329351 0.86 HRH2 (0.42) EPHA4HRH2HRH3ABL1HTR2A
SCHEMBL13329310 0.86 LMNA (0.48) EPHA4HRH2HRH3ADORA2AKDM4E
SCHEMBL13329321 0.85 HTR7 (0.43) EPHA4MAPK14KDRDAPK3PRKD3
SCHEMBL13329461 0.84 HRH2 (0.42) EPHA4HRH2HRH3HTR2AHTR2C
SCHEMBL13329422 0.84 ALDH1A1 (0.40) EPHA4FGFR1GSK3AGSK3BRPS6KA3
SCHEMBL13360799 0.84 ABL1 (0.38) EPHA4HRH2HRH3MAPK14KDR
SCHEMBL13329420 0.83 ALDH1A1 (0.47) EPHA4HRH2HRH3KDM4EMAPT
SCHEMBL13329329 0.83 HRH3 (0.46) HRH3MAP2K1ADORA2AKDM4EHTR2A
SCHEMBL13329610 0.82 ALDH1A1 (0.46) EPHA4HRH2HRH3KDM4EMAPT

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 1/4885HRH2 2909/4885HRH3 1578/4885

“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.