SCHEMBL4148174

SCHEMBL4148174

COc1c(C(=O)NC2CC2)ccc2[nH]nc(C=Cc3ccc(C(C)=O)cc3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.38
PTK2 Q05397 3/20 0.37
DRD3 P35462 1/20 0.36
KDR P35968 4/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GPR183 P32249 1/20 0.36
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BMPR1B O00238 1/20 0.35
PLK4 O00444 1/20 0.35
STK25 O00506 1/20 0.35
CIT O14578 1/20 0.35
RIOK3 O14730 1/20 0.35
CHEK1 O14757 1/20 0.35
IKBKB O14920 1/20 0.35
AURKA O14965 1/20 0.35
GAK O14976 1/20 0.35
DCLK1 O15075 1/20 0.35
CHUK O15111 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
SCHEMBL4148170 1.00 SLC6A12 (0.38) SLC6A12PTK2DRD3KDRKDM4E
SCHEMBL4144118 0.90 NPSR1 (0.44) SLC6A12DRD3KDRKDM4EALDH1A1
SCHEMBL4144114 0.90 NPSR1 (0.44) SLC6A12DRD3KDRKDM4EALDH1A1
SCHEMBL4137445 0.90 CYP3A4 (0.40) SLC6A12PTK2DRD3KDRKDM4E
SCHEMBL4137449 0.90 CYP3A4 (0.40) SLC6A12PTK2DRD3KDRKDM4E
SCHEMBL4152742 0.90 DRD3 (0.47) SLC6A12DRD3NTRK1DYRK1A
SCHEMBL4143656 0.90 SLC6A12 (0.40) SLC6A12PTK2DRD3KDRKDM4E
SCHEMBL4152746 0.90 DRD3 (0.47) SLC6A12DRD3NTRK1DYRK1A
SCHEMBL4145155 0.90 USP2 (0.41) SLC6A12PTK2DRD3KDRKDM4E
SCHEMBL4145163 0.90 USP2 (0.41) SLC6A12PTK2DRD3KDRKDM4E

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 SLC6A12 4548/4885PTK2 352/4885DRD3 1139/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B SLC6A12 4640/4885PTK2 348/4885DRD3 1224/4885

“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.