SCHEMBL4932719

SCHEMBL4932719

CN1CCN(C(=O)c2cc(-c3ccc(C#N)cn3)n(-c3cccnc3)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.49
MKNK1 Q9BUB5 4/20 0.44
MKNK2 Q9HBH9 4/20 0.44
KDM1A O60341 9/20 0.43
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
SCN9A Q15858 1/20 0.40
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL4925062 0.91 KDM1A (0.46) KDM1AHPGD
SCHEMBL14564062 0.90 KDM1A (0.45) MGLLMKNK1MKNK2KDM1ASCN9A
SCHEMBL4927988 0.89 MGLL (0.49) MGLLMKNK1MKNK2KDM1A
SCHEMBL4931406 0.88 KDM1A (0.43) MGLLKDM1A
SCHEMBL4930129 0.88 KDM1A (0.48) MGLLKDM1A
SCHEMBL4929793 0.88 MGLL (0.52) MGLLMKNK1MKNK2KDM1AALDH1A1
SCHEMBL4931407 0.87 KDM1A (0.45) MGLLKDM1AALDH1A1CYP3A4
SCHEMBL4932757 0.87 KDM1A (0.44) KDM1A
SCHEMBL4933051 0.87 MGLL (0.51) MGLLALDH1A1HTTKDM4EHPGD
SCHEMBL4927582 0.83 MARS1 (0.51) ALDH1A1

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 3 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
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 4785/4885MKNK1 3178/4885MKNK2 2603/4885

“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.