SCHEMBL4932667

SCHEMBL4932667

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 11/20 0.46
KDM1A O60341 2/20 0.39
CCKAR P32238 1/20 0.38
PTGS1 P23219 1/20 0.37
EPHX2 P34913 1/20 0.37
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL14261654 0.91 KDM1A (0.43) MGLLKDM1ACCKARPTGS1EPHX2
SCHEMBL4927907 0.88 KDM1A (0.46) MGLLKDM1ACCKAR
SCHEMBL4927600 0.87 CCKAR (0.42) MGLLKDM1ACCKARPTGS1EPHX2
SCHEMBL4929793 0.85 MGLL (0.52) MGLLKDM1ACCKARALDH1A1
SCHEMBL4931684 0.85 KDM1A (0.43) MGLLKDM1ACCKARPTGS2
SCHEMBL4931375 0.84 HCRTR1 (0.40) KDM1A
SCHEMBL4929746 0.84 MGLL (0.51) MGLLPTGS2
SCHEMBL4925391 0.83 KDM1A (0.44) KDM1A
SCHEMBL4931796 0.81 NTRK1 (0.41) MGLLKDM1ACCKAR
SCHEMBL14261658 0.81 CCKAR (0.41) MGLLKDM1ACCKARPTGS2ALDH1A1

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
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 MGLL 4785/4885KDM1A 559/4885CCKAR 2046/4885

“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.