SCHEMBL4936031

SCHEMBL4936031

CCc1ccc(-c2cc(C(=O)N3CCC(F)(F)CC3)nn2-c2cccnc2)nc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.38
CHRNA7 P36544 1/20 0.37
KDM1A O60341 3/20 0.37
CYP3A4 P08684 1/20 0.37
VNN1 O95497 2/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.35
MARS1 P56192 1/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL4932048 0.92 MGLL (0.38) MGLLCHRNA7CYP3A4VNN1HTR1A
SCHEMBL4926813 0.92 VNN1 (0.39) MGLLCHRNA7CYP3A4VNN1CYP2D6
SCHEMBL4931012 0.91 CHRNA7 (0.39) MGLLCHRNA7CYP3A4VNN1CYP2D6
SCHEMBL4924280 0.91 MGLL (0.38) MGLLCHRNA7KDM1ACYP3A4VNN1
SCHEMBL4931684 0.88 KDM1A (0.43) MGLLCHRNA7KDM1ACYP3A4HTR1A
SCHEMBL4931192 0.87 MGLL (0.45) MGLLCHRNA7KDM1ACYP3A4MARS1
SCHEMBL4932442 0.87 CHRNA7 (0.39) MGLLCHRNA7KDM1ACYP3A4VNN1
SCHEMBL4931713 0.86 CHRNA7 (0.40) MGLLCHRNA7KDM1ACYP3A4MARS1
SCHEMBL4931848 0.86 CHRNA7 (0.46) MGLLCHRNA7CYP3A4MARS1USP2
SCHEMBL4935720 0.86 HPGD (0.45) MGLLCHRNA7CYP3A4CYP2D6CYP1A2

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 1 patent. 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

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 3075/4885KDM1A 559/4885

“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.