SCHEMBL6429170

SCHEMBL6429170

COc1c(C(=O)N[C@H]2CCNC2)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.41
PTK2 Q05397 2/20 0.38
DYRK1A Q13627 2/20 0.38
MAPK1 P28482 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR4 Q13639 1/20 0.36
HTR6 P50406 1/20 0.36
LMNA P02545 1/20 0.36
NTRK1 P04629 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
DRD4 P21917 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PARP1 P09874 1/20 0.35
PBK Q96KB5 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A12 P48065 1/20 0.35

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
SCHEMBL6427068 1.00 DRD3 (0.41) DRD3PTK2DYRK1AMAPK1OPRK1
SCHEMBL6425838 0.95 DRD3 (0.44) DRD3PTK2DYRK1AHTR4LMNA
SCHEMBL4152746 0.91 DRD3 (0.47) DRD3DYRK1ALMNANTRK1CNR1
SCHEMBL4152742 0.91 DRD3 (0.47) DRD3DYRK1ALMNANTRK1CNR1
SCHEMBL4141124 0.89 DRD3 (0.46) DRD3DYRK1ALMNACNR1CNR2
SCHEMBL4145954 0.89 CNR1 (0.46) DRD3DYRK1ALMNACNR1CNR2
SCHEMBL4141120 0.89 DRD3 (0.46) DRD3DYRK1ALMNACNR1CNR2
SCHEMBL4145950 0.89 CNR1 (0.46) DRD3DYRK1ALMNACNR1CNR2
SCHEMBL6426406 0.87 DRD3 (0.44) DRD3DYRK1ALMNANTRK1CNR1
SCHEMBL6427314 0.84 HTR4 (0.44) PTK2HTR4HDAC4HDAC6KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B DRD3 1224/4885PTK2 348/4885DYRK1A 258/4885

“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.