SCHEMBL4903779

SCHEMBL4903779

O=C(O)c1cncc(-c2ccccn2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
KDM6B O15054 1/20 0.57
KDM4A O75164 1/20 0.57
KDM5C P41229 1/20 0.57
KDM4C Q9H3R0 1/20 0.57
KDM2A Q9Y2K7 1/20 0.57
KDM3A Q9Y4C1 1/20 0.57
CYP2A6 P11509 1/20 0.54
KMO O15229 2/20 0.51
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
HCAR2 Q8TDS4 4/20 0.49
ALDH1A1 P00352 2/20 0.49
APP P05067 1/20 0.49
GAA P10253 1/20 0.49
HCAR3 P49019 1/20 0.49
LDHA P00338 1/20 0.47
CHEK2 O96017 1/20 0.47
DHODH Q02127 1/20 0.47
KAT6A Q92794 1/20 0.46

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
SCHEMBL31301228 0.86 CHEK2 (0.59) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL28334001 0.86 CHEK2 (0.59) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL28830424 0.83 KDM4E (0.64) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL29800516 0.83 KDM4E (0.69) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL28404844 0.83 KDM4E (0.64) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL207017 0.83 KDM4E (0.69) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL31390061 0.83 KCNK3 (0.53) TGFBR1
SCHEMBL11185348 0.82 KDM4E (0.49) KDM4ECYP2A6ALDH1A1GAACHEK2
SCHEMBL3715357 0.81 LDHA (0.57) KMOMKNK1MKNK2LDHADHODH
SCHEMBL1319171 0.81 MKNK1 (0.53) KDM4ECYP2A6KMOMKNK1MKNK2

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-20080269214-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors ASTRAZENECA AB (SE) 2008-10-30 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-20080269214-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors TOP1, TOP2A, TOP2B KDM4E 1366/4885KDM6B 1707/4885KDM4A 2010/4885

“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.