SCHEMBL4933045

SCHEMBL4933045

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.40
MGLL Q99685 7/20 0.38
CYP3A4 P08684 4/20 0.38
USP2 O75604 4/20 0.36
CYP1A2 P05177 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2C19 P33261 2/20 0.36
MARS1 P56192 1/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.36
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
CYP2C9 P11712 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL4929171 0.90 CHRNA7 (0.40) CHRNA7MGLLCYP3A4USP2CYP1A2
SCHEMBL4932171 0.90 MGLL (0.39) CHRNA7MGLLCYP3A4USP2CYP1A2
SCHEMBL4931713 0.89 CHRNA7 (0.40) CHRNA7MGLLCYP3A4USP2CYP1A2
SCHEMBL4931192 0.86 MGLL (0.45) CHRNA7MGLLCYP3A4USP2CYP1A2
SCHEMBL4927670 0.85 CHRNA7 (0.41) CHRNA7MGLLCYP3A4USP2CYP1A2
SCHEMBL4931848 0.85 CHRNA7 (0.46) CHRNA7MGLLCYP3A4USP2CYP1A2
SCHEMBL4931684 0.85 KDM1A (0.43) CHRNA7MGLLCYP3A4USP2SMN1; SMN2
SCHEMBL4931012 0.85 CHRNA7 (0.39) CHRNA7MGLLCYP3A4USP2CYP1A2
SCHEMBL4926813 0.84 VNN1 (0.39) CHRNA7MGLLCYP3A4USP2CYP1A2
SCHEMBL4932048 0.84 MGLL (0.38) CHRNA7MGLLCYP3A4USP2CYP1A2

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
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 CHRNA7 3075/4885MGLL 4785/4885CYP3A4 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.