SCHEMBL4931407

SCHEMBL4931407

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.45
CYP3A4 P08684 5/20 0.42
CYP1A2 P05177 2/20 0.42
MAPK1 P28482 1/20 0.42
CYP2D6 P10635 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.40
MGLL Q99685 2/20 0.38
CHRNA7 P36544 1/20 0.38
HSD17B10 Q99714 1/20 0.37
CTSD P07339 1/20 0.37
BACE1 P56817 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
SCHEMBL4927237 0.92 KDM1A (0.39) KDM1ACYP3A4CYP1A2MAPK1CYP2D6
SCHEMBL4926841 0.91 KDM1A (0.50) KDM1AMGLLCHRNA7
SCHEMBL4925062 0.89 KDM1A (0.46) KDM1A
SCHEMBL4930129 0.88 KDM1A (0.48) KDM1AMGLL
SCHEMBL14564062 0.88 KDM1A (0.45) KDM1ACYP3A4CYP1A2MAPK1MGLL
SCHEMBL4931192 0.88 MGLL (0.45) KDM1ACYP3A4CYP1A2MAPK1CYP2C9
SCHEMBL5266989 0.88 KDM1A (0.51) KDM1ACHRNA7
SCHEMBL4932719 0.87 MGLL (0.49) KDM1ACYP3A4ALDH1A1MGLL
SCHEMBL4931684 0.87 KDM1A (0.43) KDM1ACYP3A4CYP2C9MGLLCHRNA7
SCHEMBL4927988 0.87 MGLL (0.49) 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 559/4885CYP3A4 65/4885CYP1A2 18/4885

“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.