SCHEMBL4929137

SCHEMBL4929137

CC(C)(C)OC(=O)Nc1cnc(-c2cc(C(=O)N3CCC(F)(F)CC3)nn2-c2cccnc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.38
GRM5 P41594 1/20 0.35
GRM1 Q13255 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
NAMPT P43490 2/20 0.34
HPGD P15428 1/20 0.34
CHRNA7 P36544 1/20 0.34
MAPT P10636 1/20 0.34
GSK3B P49841 1/20 0.34
MGLL Q99685 2/20 0.34
CYP1A2 P05177 2/20 0.33
NTRK1 P04629 2/20 0.33
BCL2 P10415 2/20 0.33
TEK Q02763 1/20 0.33
CYP3A4 P08684 1/20 0.33
CFTR P13569 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL4924533 0.90 NAMPT (0.41) GPR119GRM5GRM1CNR1CNR2
SCHEMBL5268146 0.87 HPGD (0.39) GPR119HPGDCHRNA7GSK3BMGLL
SCHEMBL4929836 0.85 MARS1 (0.44) CNR1CNR2NAMPTBCL2
SCHEMBL4932171 0.84 MGLL (0.39) GRM1HPGDCHRNA7MGLLCYP1A2
SCHEMBL5526416 0.83 CNR1 (0.46) GPR119CNR1CNR2NAMPTGSK3B
SCHEMBL5519559 0.82 CNR1 (0.36) GPR119GRM1CNR1CNR2NAMPT
SCHEMBL5266846 0.82 HPGD (0.35) HPGDCHRNA7GSK3BCFTR
SCHEMBL4933045 0.82 CHRNA7 (0.40) CHRNA7MGLLCYP1A2CYP3A4CYP2C9
SCHEMBL4931448 0.81 KMT2A (0.46) CNR1CNR2MAPTMGLL
SCHEMBL5527649 0.81 CNR1 (0.49) CNR1CNR2NAMPTNTRK1

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 3 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
CN-1980912-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-06-13 CN 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 GPR119 1933/4885GRM5 1347/4885GRM1 281/4885

“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.