SCHEMBL13329656

SCHEMBL13329656

CC1CCCc2c(-c3ccccc3Cl)nc3[nH]nc(N)c3c2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA4 P54764 3/20 0.50
HRH3 Q9Y5N1 3/20 0.38
HTR7 P34969 1/20 0.35
HRH2 P25021 2/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 3/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
TP53 P04637 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
BCHE P06276 1/20 0.32

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
SCHEMBL13329537 0.94 EPHA4 (0.47) EPHA4HTR7KDM4ELMNAGAA
SCHEMBL13329655 0.89 EPHA4 (0.50) EPHA4HRH3HTR7HRH2KDM4E
SCHEMBL13329380 0.89 EPHA4 (0.45) EPHA4HTR7GAASMN1; SMN2NPC1
SCHEMBL13329343 0.85 EPHA4 (0.62) EPHA4HTR7KDM4EALDH1A1LMNA
SCHEMBL13329477 0.85 EPHA4 (0.66) EPHA4HTR7KDM4EALDH1A1LMNA
SCHEMBL13329650 0.85 HRH3 (0.49) HRH3HRH2KDM4EALDH1A1LMNA
SCHEMBL13329637 0.84 EPHA4 (0.65) EPHA4HTR7KDM4EALDH1A1LMNA
SCHEMBL13329504 0.84 EPHA4 (0.48) EPHA4HRH3HTR7HRH2KDM4E
SCHEMBL13329511 0.81 HTR7 (0.36) EPHA4HTR7KDM4EALDH1A1GAA
SCHEMBL13329377 0.79 EPHA4 (0.46) EPHA4HTR7ALDH1A1LMNAJAK2

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 1/4885HRH3 1578/4885HTR7 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.