SCHEMBL29303166

SCHEMBL29303166

COc1ccc(CNc2nsc(NCc3cn4cc(C5CC5)ccc4n3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 3/20 0.40
▸ METTL3 Q86U44 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ NR1H4 Q96RI1 2/20 0.38
▸ TP53 P04637 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ KLKB1 P03952 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPC1 O15118 1/20 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
SCHEMBL29303167 0.78 PDE2A (0.39) PDE2AMETTL3KDM4EALDH1A1NR1H4
SCHEMBL24738072 0.78 METTL3 (0.45) METTL3KDM4ETP53KLKB1
SCHEMBL24738066 0.78 METTL3 (0.45) METTL3KDM4ETP53KLKB1
SCHEMBL24738593 0.77 METTL3 (0.43) METTL3KLKB1
SCHEMBL24739084 0.76 KLKB1 (0.38) PDE2AMETTL3KDM4EALDH1A1KLKB1
SCHEMBL30997852 0.76 KLKB1 (0.38) PDE2AMETTL3KDM4EALDH1A1KLKB1
SCHEMBL29141803 0.75 CLK4 (0.40) PDE2AMETTL3NR1H4
SCHEMBL30997863 0.73 KLKB1 (0.39) PDE2AMETTL3KDM4EALDH1A1KLKB1
SCHEMBL24739085 0.73 KLKB1 (0.39) PDE2AMETTL3KDM4EALDH1A1KLKB1
SCHEMBL29141819 0.71 PDE10A (0.38) PDE2AMETTL3NR1H4KLKB1

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 4596/4885KDM4E 796/4885

“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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