SCHEMBL29303167

SCHEMBL29303167

COc1ccc(CNc2cc(NCc3cn4cc(C5CC5)ccc4n3)cc(OC)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 3/20 0.39
▸ METTL3 Q86U44 2/20 0.38
▸ HRH4 Q9H3N8 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ ENPP2 Q13822 1/20 0.37
▸ TP53 P04637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HRH1 P35367 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ PTGDR Q13258 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ VCP P55072 1/20 0.34

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
SCHEMBL24739185 0.84 METTL3 (0.41) METTL3KLKB1
SCHEMBL24738215 0.83 METTL3 (0.42) METTL3KLKB1
SCHEMBL30997753 0.83 METTL3 (0.42) METTL3KLKB1
SCHEMBL24738587 0.82 METTL3 (0.42) METTL3ALDH1A1TP53NPC1RAB9A
SCHEMBL24738586 0.82 METTL3 (0.42) METTL3KDM4ETP53KLKB1
SCHEMBL29141803 0.79 CLK4 (0.40) PDE2AMETTL3ENPP2IGF1RNR1H4
SCHEMBL30997863 0.78 KLKB1 (0.39) PDE2AMETTL3KDM4EALDH1A1ENPP2
SCHEMBL24739085 0.78 KLKB1 (0.39) PDE2AMETTL3KDM4EALDH1A1ENPP2
SCHEMBL29303166 0.78 PDE2A (0.40) PDE2AMETTL3KDM4EALDH1A1TP53
SCHEMBL29141767 0.75 GABRG2 (0.45) METTL3KDM4ENPC1RAB9AKLKB1

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 3 patents. 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
EP-4308230-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO 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 PDE2A 2087/4885METTL3 4596/4885HRH4 1751/4885

“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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