SCHEMBL13329329

SCHEMBL13329329

N#Cc1ccc(-c2nc3[nH]nc(N)c3c3c2CCC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
MAP2K1 Q02750 1/20 0.39
SGK1 O00141 1/20 0.36
HSP90AB1 P08238 1/20 0.36
CYP11B2 P19099 2/20 0.36
KDM4E B2RXH2 3/20 0.35
ADORA2A P29274 2/20 0.35
CYP11B1 P15538 1/20 0.35
ALDH1A1 P00352 2/20 0.35
PTGS2 P35354 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTPN11 Q06124 1/20 0.34
CHEK1 O14757 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
SCHEMBL13329436 0.97 HRH3 (0.46) HRH3HTR2AHTR2CHTR2BMAP2K1
SCHEMBL13360806 0.83 ADORA2A (0.44) MAP2K1KDM4EADORA2AALDH1A1
SCHEMBL13329319 0.83 EPHA4 (0.44) HRH3HTR2AHTR2CHTR2BMAP2K1
SCHEMBL13329351 0.83 HRH2 (0.42) HRH3HTR2AHTR2CHTR2BALDH1A1
SCHEMBL13329518 0.83 HRH3 (0.45) HRH3HTR2AHTR2CHTR2BMAP2K1
SCHEMBL13329310 0.83 LMNA (0.48) HRH3KDM4EADORA2AALDH1A1SMN1; SMN2
SCHEMBL13329422 0.81 ALDH1A1 (0.40) KDM4EALDH1A1SMN1; SMN2
SCHEMBL13329461 0.81 HRH2 (0.42) HRH3HTR2AHTR2CHTR2BPTGS2
SCHEMBL13329420 0.80 ALDH1A1 (0.47) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL13329610 0.79 ALDH1A1 (0.46) HRH3KDM4EALDH1A1PTGS2SMN1; 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 HRH3 1578/4885HTR2A 1269/4885HTR2C 1044/4885

“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.