SCHEMBL4931335

SCHEMBL4931335

NC(=O)COc1ccc(-c2cc(C(=O)N3CCC(F)(F)CC3)nn2-c2cccnc2)nc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.38
CHRNA7 P36544 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
HPGD P15428 1/20 0.35
HTR1A P08908 1/20 0.35
VNN1 O95497 1/20 0.35
PTGS2 P35354 2/20 0.34
KDM1A O60341 1/20 0.34
SCN9A Q15858 3/20 0.34

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
SCHEMBL4935720 0.88 HPGD (0.45) MGLLCHRNA7CYP3A4CYP2C9CYP2C19
SCHEMBL4923151 0.88 MDM2 (0.45) MGLLCYP4F2CYP4A11
SCHEMBL4927670 0.85 CHRNA7 (0.41) MGLLCHRNA7CYP3A4CYP2C9CYP2C19
SCHEMBL4931713 0.85 CHRNA7 (0.40) MGLLCHRNA7CYP3A4CYP2C9CYP2C19
SCHEMBL4931012 0.85 CHRNA7 (0.39) MGLLCHRNA7CYP3A4CYP2C9CYP2C19
SCHEMBL4932632 0.85 CHRNA7 (0.38) MGLLCHRNA7CYP3A4CYP2C19HPGD
SCHEMBL4931192 0.84 MGLL (0.45) MGLLCHRNA7CYP3A4CYP2C9CYP2C19
SCHEMBL4926813 0.84 VNN1 (0.39) MGLLCHRNA7CYP3A4CYP2C9CYP2C19
SCHEMBL4932048 0.84 MGLL (0.38) MGLLCHRNA7CYP3A4CYP2C9CYP2C19
SCHEMBL4931684 0.84 KDM1A (0.43) MGLLCHRNA7CYP3A4CYP2C9CYP2C19

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-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
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 4785/4885CHRNA7 3075/4885CYP3A4 65/4885

“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.