SCHEMBL4931406

SCHEMBL4931406

N#Cc1ccc(-c2cc(C(=O)N3CCN(C4CC4)CC3)nn2-c2cccnc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 14/20 0.43
HRH3 Q9Y5N1 1/20 0.40
CFTR P13569 1/20 0.40
MGLL Q99685 3/20 0.40
IRAK4 Q9NWZ3 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
SCHEMBL4930129 0.89 KDM1A (0.48) KDM1AMGLL
SCHEMBL4932719 0.88 MGLL (0.49) KDM1AMGLL
SCHEMBL4925062 0.88 KDM1A (0.46) KDM1A
SCHEMBL14564062 0.87 KDM1A (0.45) KDM1AMGLL
SCHEMBL4927988 0.86 MGLL (0.49) KDM1AMGLL
SCHEMBL4932757 0.86 KDM1A (0.44) KDM1A
SCHEMBL4931407 0.85 KDM1A (0.45) KDM1AMGLL
SCHEMBL4927582 0.81 MARS1 (0.51)
SCHEMBL4927237 0.77 KDM1A (0.39) KDM1AMGLL
SCHEMBL14261654 0.76 KDM1A (0.43) KDM1AMGLL

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
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 559/4885HRH3 1737/4885CFTR 2404/4885

“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.