SCHEMBL4140190

SCHEMBL4140190

COc1ccc(C=Cc2n[nH]c3ccc(C(=O)NC4CC4)c(OC)c23)cc1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 6/20 0.44
DRD3 P35462 3/20 0.42
NTRK1 P04629 1/20 0.42
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
DYRK1A Q13627 1/20 0.41
PTK2 Q05397 2/20 0.40
NAAA Q02083 1/20 0.40
SLC6A12 P48065 1/20 0.39
MCHR1 Q99705 1/20 0.39
PDE5A O76074 1/20 0.39
MCL1 Q07820 1/20 0.38

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
SCHEMBL4140186 1.00 TUBB1 (0.44) TUBB1DRD3NTRK1PDE4BPDE4D
SCHEMBL4143679 0.93 DRD3 (0.42) TUBB1DRD3NTRK1PDE4BDYRK1A
SCHEMBL4143682 0.93 DRD3 (0.42) TUBB1DRD3NTRK1PDE4BDYRK1A
SCHEMBL4145327 0.93 DYRK1A (0.42) DRD3NTRK1DYRK1APTK2SLC6A12
SCHEMBL4145331 0.93 DYRK1A (0.42) DRD3NTRK1DYRK1APTK2SLC6A12
SCHEMBL4144294 0.92 CHEK1 (0.43) DRD3NTRK1PDE4BPTK2SLC6A12
SCHEMBL4144288 0.92 CHEK1 (0.43) DRD3NTRK1PDE4BPTK2SLC6A12
SCHEMBL5030077 0.89 DRD3 (0.38) DRD3NTRK1DYRK1APTK2SLC6A12
SCHEMBL5030074 0.89 DRD3 (0.38) DRD3NTRK1DYRK1APTK2SLC6A12
SCHEMBL4152742 0.88 DRD3 (0.47) DRD3NTRK1DYRK1ASLC6A12

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 TUBB1 1495/4885DRD3 1139/4885NTRK1 922/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B TUBB1 1202/4885DRD3 1224/4885NTRK1 897/4885

“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.