SCHEMBL13329422

SCHEMBL13329422

Nc1n[nH]c2nc(-c3ccc(O)cc3)c3c(c12)CCCC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
MAPK1 P28482 3/20 0.40
ATM Q13315 1/20 0.40
TLR9 Q9NR96 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FGFR1 P11362 2/20 0.38
FGFR2 P21802 2/20 0.38
BTK Q06187 1/20 0.37
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
HTT P42858 2/20 0.37
LIMK1 P53667 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RPS6KA3 P51812 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
EPHA4 P54764 3/20 0.36

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
SCHEMBL13329461 0.86 HRH2 (0.42) MAPTIKBKBEPHA4
SCHEMBL13329420 0.86 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL13329610 0.85 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL13329432 0.85 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EHPGDIKBKB
SCHEMBL13329351 0.84 HRH2 (0.42) ALDH1A1MAPTHPGDIKBKBHTT
SCHEMBL13329319 0.84 EPHA4 (0.44) MAPTKDM4EFGFR1CHUKRPS6KA3
SCHEMBL13329310 0.83 LMNA (0.48) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL13329436 0.83 HRH3 (0.46) ALDH1A1MAPTKDM4EHPGDEPHA4
SCHEMBL22478009 0.81 FLT3 (0.44) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL13329329 0.81 HRH3 (0.46) ALDH1A1KDM4ESMN1; SMN2

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 ALDH1A1 1835/4885MAPT 349/4885KDM4E 920/4885

“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.