SCHEMBL6425838

SCHEMBL6425838

COc1c(C(=O)NC2CCNCC2)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.44
HTR4 Q13639 2/20 0.41
DYRK1A Q13627 5/20 0.41
LMNA P02545 1/20 0.39
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
NTRK1 P04629 1/20 0.39
WNT1 P04628 2/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A12 P48065 1/20 0.38
CCR3 P51677 1/20 0.37
PTK2 Q05397 1/20 0.37

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 0.95 DRD3 (0.41) DRD3HTR4DYRK1ALMNACNR1
SCHEMBL6429170 0.95 DRD3 (0.41) DRD3HTR4DYRK1ALMNACNR1
SCHEMBL4152742 0.94 DRD3 (0.47) DRD3DYRK1ALMNACNR1CNR2
SCHEMBL4152746 0.94 DRD3 (0.47) DRD3DYRK1ALMNACNR1CNR2
SCHEMBL4145954 0.93 CNR1 (0.46) DRD3DYRK1ALMNACNR1CNR2
SCHEMBL4145950 0.93 CNR1 (0.46) DRD3DYRK1ALMNACNR1CNR2
SCHEMBL4141124 0.93 DRD3 (0.46) DRD3DYRK1ALMNACNR1CNR2
SCHEMBL4141120 0.93 DRD3 (0.46) DRD3DYRK1ALMNACNR1CNR2
SCHEMBL6426406 0.90 DRD3 (0.44) DRD3DYRK1ALMNACNR1CNR2
SCHEMBL6427314 0.87 HTR4 (0.44) HTR4KMT2APTK2

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 1224/4885HTR4 2773/4885DYRK1A 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.