SCHEMBL4929893

SCHEMBL4929893

Cc1ccc(-c2cc(C(=O)N3CCC(F)(F)CC3)nn2-c2cccnc2)nn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.39
MGLL Q99685 7/20 0.39
CHRNA7 P36544 1/20 0.39
KDM1A O60341 2/20 0.37
MARS1 P56192 1/20 0.36
CYP3A4 P08684 2/20 0.36
GABRA1 P14867 1/20 0.36
TEK Q02763 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
CYP2C19 P33261 2/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C9 P11712 1/20 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
SCHEMBL5162928 0.89 ALDH1A1 (0.38) GRM1MGLLCHRNA7MARS1CYP3A4
SCHEMBL4932171 0.88 MGLL (0.39) GRM1MGLLCHRNA7KDM1AMARS1
SCHEMBL4931684 0.87 KDM1A (0.43) GRM1MGLLCHRNA7KDM1ACYP3A4
SCHEMBL4931192 0.84 MGLL (0.45) MGLLCHRNA7KDM1AMARS1CYP3A4
SCHEMBL4932442 0.84 CHRNA7 (0.39) GRM1MGLLCHRNA7KDM1AMARS1
SCHEMBL4931848 0.83 CHRNA7 (0.46) MGLLCHRNA7MARS1CYP3A4MALT1
SCHEMBL4931713 0.83 CHRNA7 (0.40) MGLLCHRNA7KDM1AMARS1CYP3A4
SCHEMBL4935963 0.83 CYP2C19 (0.41) MGLLCHRNA7KDM1AMARS1CYP3A4
SCHEMBL4936031 0.83 MGLL (0.38) MGLLCHRNA7KDM1AMARS1CYP3A4
SCHEMBL4935720 0.83 HPGD (0.45) MGLLCHRNA7CYP3A4CYP2C19CYP1A2

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 6 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
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
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 GRM1 281/4885MGLL 4785/4885CHRNA7 3075/4885

“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.