SCHEMBL7078593

SCHEMBL7078593

O=C(O)c1cn(Cc2ccncc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.48
KDM5A P29375 2/20 0.48
KDM5B Q9UGL1 2/20 0.48
CYP11B1 P15538 1/20 0.46
RBP4 P02753 1/20 0.45
KDM4A O75164 2/20 0.45
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP19A1 P11511 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TBXAS1 P24557 4/20 0.40
PLA2G4A P47712 1/20 0.40
KLKB1 P03952 1/20 0.40
USP30 Q70CQ3 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
SCHEMBL3688462 0.87 KDM4C (0.57) KDM4CKDM5AKDM5BRBP4KDM4A
SCHEMBL4737266 0.84 RBP4 (0.48) KDM4CKDM5AKDM5BCYP11B1RBP4
SCHEMBL15965171 0.83 KLKB1 (0.47) KDM4CKDM5AKDM5BCYP11B1RBP4
SCHEMBL24208400 0.82 KDM4C (0.47) KDM4CKDM5AKDM5BRBP4KDM4A
SCHEMBL7265636 0.82 CYP2E1 (0.57) KDM4CKDM5AKDM5BCYP11B1RBP4
Trifluoroacetic Acid SCHEMBL4737904 0.79 KDM4C (0.50) KDM4CKDM5AKDM5BRBP4KDM4A
SCHEMBL553449 0.79 KLKB1 (0.55) KDM4CKDM5AKDM5BRBP4KDM4A
SCHEMBL21314995 0.78 KDM4C (0.50) KDM4CKDM5AKDM5BCYP11B1RBP4
SCHEMBL30504034 0.78 KDM4C (0.50) KDM4CKDM5AKDM5BCYP11B1RBP4
SCHEMBL26641207 0.77 KDM4C (0.41) KDM4CKDM5AKDM5BRBP4KDM4A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof PAYNE LINDA S (US) 2003-12-11 US 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-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof CYP2S1, IMPDH1, IDO1 KDM4C 1486/4885KDM5A 2332/4885KDM5B 2648/4885

“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.