SCHEMBL13329461

SCHEMBL13329461

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SIRT1 Q96EB6 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
EPHA4 P54764 2/20 0.41
IKBKB O14920 1/20 0.39
MAP3K14 Q99558 1/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
HTR1D P28221 1/20 0.39
HTR1E P28566 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
SOS1 Q07889 1/20 0.38
ALPL P05186 1/20 0.38
MAPT P10636 1/20 0.37
PTGS2 P35354 1/20 0.37
BCHE P06276 1/20 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
SCHEMBL13329351 0.97 HRH2 (0.42) HRH2HRH3SIRT1SIRT2EPHA4
SCHEMBL13329422 0.86 ALDH1A1 (0.40) EPHA4IKBKBMAPT
SCHEMBL13329420 0.86 ALDH1A1 (0.47) HRH2HRH3EPHA4MAPT
SCHEMBL13329610 0.85 ALDH1A1 (0.46) HRH2HRH3EPHA4MAPTPTGS2
SCHEMBL13329468 0.85 IKBKE (0.44) EPHA4HTR7
SCHEMBL13329319 0.84 EPHA4 (0.44) HRH2HRH3EPHA4HTR2AHTR2C
SCHEMBL13329634 0.84 IKBKE (0.43) EPHA4HTR7BCHE
SCHEMBL13329310 0.83 LMNA (0.48) HRH2HRH3EPHA4MAPT
SCHEMBL13329436 0.83 HRH3 (0.46) HRH3EPHA4HTR2AHTR2CHTR2B
SCHEMBL13329346 0.82 IKBKE (0.44) EPHA4HTR7MAPT

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 HRH2 2909/4885HRH3 1578/4885SIRT1 4876/4885

“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.