SCHEMBL4927237

SCHEMBL4927237

C#Cc1ccc(-c2cc(C(=O)N3CCC(F)(F)CC3)nn2-c2cccnc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.39
MGLL Q99685 6/20 0.38
CHRNA7 P36544 1/20 0.37
MARS1 P56192 1/20 0.37
CYP3A4 P08684 4/20 0.37
CYP1A2 P05177 3/20 0.36
MAPK1 P28482 2/20 0.36
USP2 O75604 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP2C19 P33261 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C9 P11712 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.34
MALT1 Q9UDY8 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
SCHEMBL4931407 0.92 KDM1A (0.45) KDM1AMGLLCHRNA7CYP3A4CYP1A2
SCHEMBL4931192 0.87 MGLL (0.45) KDM1AMGLLCHRNA7MARS1CYP3A4
SCHEMBL4931684 0.86 KDM1A (0.43) KDM1AMGLLCHRNA7CYP3A4USP2
SCHEMBL4931848 0.86 CHRNA7 (0.46) MGLLCHRNA7MARS1CYP3A4CYP1A2
SCHEMBL4931713 0.86 CHRNA7 (0.40) KDM1AMGLLCHRNA7MARS1CYP3A4
SCHEMBL4932442 0.85 CHRNA7 (0.39) KDM1AMGLLCHRNA7MARS1CYP3A4
SCHEMBL4932048 0.85 MGLL (0.38) MGLLCHRNA7MARS1CYP3A4CYP1A2
SCHEMBL4926813 0.85 VNN1 (0.39) MGLLCHRNA7MARS1CYP3A4CYP1A2
SCHEMBL4927670 0.85 CHRNA7 (0.41) MGLLCHRNA7MARS1CYP3A4CYP1A2
SCHEMBL4931012 0.84 CHRNA7 (0.39) MGLLCHRNA7MARS1CYP3A4CYP1A2

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 KDM1A 559/4885MGLL 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.