SCHEMBL4153467

SCHEMBL4153467

COc1c(C(=O)NC2CC2)ccc2[nH]nc(C=Cc3ccccc3F)c12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SLC6A12 P48065 1/20 0.41
NPC1 O15118 1/20 0.41
CYP3A4 P08684 1/20 0.41
DYRK1A Q13627 3/20 0.40
WNT1 P04628 2/20 0.40
KDR P35968 2/20 0.39
PTK2 Q05397 1/20 0.38
KDM5A P29375 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR1 P34998 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CCR3 P51677 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
SCHEMBL4153464 1.00 DRD3 (0.42) DRD3ALDH1A1SLC6A12NPC1CYP3A4
SCHEMBL4157731 0.90 SLC6A12 (0.48) DRD3ALDH1A1SLC6A12NPC1CYP3A4
SCHEMBL4157738 0.90 SLC6A12 (0.48) DRD3ALDH1A1SLC6A12NPC1CYP3A4
SCHEMBL4136798 0.89 DRD3 (0.42) DRD3SLC6A12DYRK1ACNR1CNR2
SCHEMBL4136791 0.89 DRD3 (0.42) DRD3SLC6A12DYRK1ACNR1CNR2
SCHEMBL4152810 0.87 SLC6A12 (0.42) DRD3ALDH1A1SLC6A12NPC1CYP3A4
SCHEMBL4152813 0.87 SLC6A12 (0.42) DRD3ALDH1A1SLC6A12NPC1CYP3A4
SCHEMBL4140646 0.87 KDM4E (0.46) DRD3ALDH1A1SLC6A12DYRK1AKDR
SCHEMBL4140651 0.87 KDM4E (0.46) DRD3ALDH1A1SLC6A12DYRK1AKDR
SCHEMBL4152742 0.85 DRD3 (0.47) DRD3SLC6A12DYRK1AKMT2ACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B DRD3 1139/4885ALDH1A1 2731/4885SLC6A12 4548/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B DRD3 1224/4885ALDH1A1 2713/4885SLC6A12 4640/4885

“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.