SCHEMBL13329630

SCHEMBL13329630

Nc1n[nH]c2nc(-c3ccccc3F)c3c(c12)CCCCC3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA4 P54764 3/20 0.47
HTR7 P34969 2/20 0.40
CHUK O15111 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.36
HASPIN Q8TF76 1/20 0.36
ACHE P22303 1/20 0.36
CDK2 P24941 5/20 0.35
FLT3 P36888 5/20 0.35
CCNA1 P78396 5/20 0.35
ADORA2A P29274 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK9 P50750 1/20 0.34
DAPK3 O43293 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34

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
SCHEMBL13329326 0.96 EPHA4 (0.45) EPHA4HTR7CHUKDCUN1D1HASPIN
SCHEMBL13329614 0.86 EPHA4 (0.64) EPHA4HTR7DCUN1D1ACHECDK2
SCHEMBL13329637 0.85 EPHA4 (0.65) EPHA4HTR7DCUN1D1ACHECDK2
SCHEMBL13329333 0.84 EPHA4 (0.45) EPHA4ACHECDK2FLT3CCNA1
SCHEMBL13329477 0.84 EPHA4 (0.66) EPHA4HTR7DCUN1D1ACHEMAPK14
SCHEMBL13360769 0.83 HTR7 (0.38) EPHA4HTR7CHUKDCUN1D1FLT3
SCHEMBL13329315 0.82 EPHA4 (0.62) EPHA4HTR7DCUN1D1ACHECDK2
SCHEMBL13329610 0.82 ALDH1A1 (0.46) EPHA4
SCHEMBL13329553 0.82 HTR7 (0.36) EPHA4HTR7CHUKDCUN1D1ACHE
SCHEMBL13329511 0.82 HTR7 (0.36) EPHA4HTR7CHUKDCUN1D1ACHE

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.