SCHEMBL4153493

SCHEMBL4153493

COc1cc(C=Cc2nn(C(N)=O)c3ccc(C(=O)OCC4CC4)c(OC)c23)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.35
BACE1 P56817 2/20 0.35
TUBB1 Q9H4B7 2/20 0.35
PDE4B Q07343 5/20 0.34
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MCL1 Q07820 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACHE P22303 1/20 0.33
KDR P35968 1/20 0.33
CXCL12 P48061 1/20 0.33

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
SCHEMBL4152330 0.94 TUBB1 (0.40) HTR4TUBB1PDE4BDRD2DRD4
SCHEMBL4135795 0.94 HTR4 (0.35) HTR4TUBB1PDE4BDRD2DRD4
SCHEMBL4155857 0.94 PDE4B (0.38) HTR4PDE4BDRD2DRD4PDE4A
SCHEMBL4136502 0.89 HTR4 (0.33) HTR4DRD2DRD4MEN1KMT2A
SCHEMBL4139105 0.87 GAA (0.35) HTR4DRD2DRD4MEN1NPC1
SCHEMBL4153964 0.85 RAB9A (0.34) HTR4NPC1
SCHEMBL4157519 0.84 GPR183 (0.35) HTR4NPC1
SCHEMBL4139785 0.79 JMJD6 (0.32) HTR4PDE4D
SCHEMBL4148222 0.77 CTSL (0.32) MEN1KMT2A
SCHEMBL4139709 0.76 ATM (0.40) MEN1KMT2AATML3MBTL1

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 HTR4 2339/4885BACE1 2322/4885TUBB1 1495/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B HTR4 2773/4885BACE1 2832/4885TUBB1 1202/4885

“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.