SCHEMBL30997863

SCHEMBL30997863

COc1ccc(COc2nc(Cl)cc(NCc3cn4cc(C5CC5)ccc4n3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 14/20 0.39
▸ METTL3 Q86U44 1/20 0.37
▸ PDE2A O00408 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ENPP2 Q13822 2/20 0.35

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
SCHEMBL24739085 1.00 KLKB1 (0.39) KLKB1METTL3PDE2AKDM4EALDH1A1
SCHEMBL24739081 0.87 METTL3 (0.42) KLKB1METTL3KDM4E
SCHEMBL30997805 0.87 METTL3 (0.42) KLKB1METTL3KDM4E
SCHEMBL30997852 0.86 KLKB1 (0.38) KLKB1METTL3PDE2AKDM4EALDH1A1
SCHEMBL24739084 0.86 KLKB1 (0.38) KLKB1METTL3PDE2AKDM4EALDH1A1
SCHEMBL24739153 0.82 KLKB1 (0.39) KLKB1
SCHEMBL24738258 0.82 HRH4 (0.40) PDE2A
SCHEMBL30997864 0.80 KLKB1 (0.44) KLKB1METTL3KDM4E
SCHEMBL24739073 0.80 KLKB1 (0.44) KLKB1METTL3KDM4E
SCHEMBL29303167 0.78 PDE2A (0.39) KLKB1METTL3PDE2AKDM4EALDH1A1

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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — 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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 KLKB1 1/4885METTL3 4596/4885PDE2A 2087/4885

“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.

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