SCHEMBL4924326

SCHEMBL4924326

COC1CCN(C(=O)c2cc(-c3cnc(C)cn3)n(-c3cccnc3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.41
NAMPT P43490 1/20 0.40
NTRK1 P04629 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
PTGS1 P23219 1/20 0.38
EPHX2 P34913 1/20 0.38
PTGS2 P35354 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SPR P35270 1/20 0.38
GAA P10253 1/20 0.37
CCKAR P32238 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
SCHEMBL5273334 0.91 MGLL (0.42) MGLLPTGS1EPHX2PTGS2NPC1
SCHEMBL4927600 0.90 CCKAR (0.42) MGLLNTRK1GPR119PTGS1EPHX2
SCHEMBL4931030 0.88 MGLL (0.45) MGLLNTRK1GPR119SPRCCKAR
SCHEMBL4931318 0.86 PARP1 (0.43) MGLLNTRK1GPR119PTGS1EPHX2
SCHEMBL4932757 0.86 KDM1A (0.44)
SCHEMBL4932171 0.83 MGLL (0.39) MGLL
SCHEMBL4923366 0.83 MGLL (0.41) MGLLNTRK1GPR119PTGS1EPHX2
SCHEMBL5266771 0.83 MGLL (0.42) MGLLNTRK1PTGS1EPHX2PTGS2
SCHEMBL14529221 0.83 MGLL (0.44) MGLLPTGS1EPHX2PTGS2CCKAR
SCHEMBL5272729 0.81 MGLL (0.47) MGLLPTGS1EPHX2PTGS2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 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 (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-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 MGLL 4785/4885NAMPT 3346/4885NTRK1 2581/4885

“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.