SCHEMBL25516788

SCHEMBL25516788

CCc1ncc2oc(=O)n(C(C)C)c2n1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PDE4B Q07343 1/20 0.30
▸ PIK3CD O00329 2/20 0.30

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
SCHEMBL17807741 0.79 — —
SCHEMBL19199989 0.76 KDM4E (0.36) KDM4EALDH1A1PIK3CD
SCHEMBL22419390 0.74 CDK4 (0.35) —
SCHEMBL18237738 0.72 PIK3CD (0.35) ALDH1A1PIK3CD
SCHEMBL22419395 0.71 USP1 (0.41) —
SCHEMBL22419357 0.71 MEN1 (0.31) ALDH1A1
SCHEMBL22419358 0.71 PIK3CD (0.32) PDE4BPIK3CD
SCHEMBL5956295 0.66 KDM4E (0.50) KDM4EALDH1A1PDE4B
SCHEMBL22419351 0.65 KMT2A (0.35) KDM4EALDH1A1PDE4B
SCHEMBL19200859 0.64 AURKA (0.39) KDM4E

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
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 — — US disclosed
WO-2023083285-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-19 — — 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 (2 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 KDM4E 796/4885ALDH1A1 3026/4885PDE4B 2300/4885
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 KDM4E 646/4885ALDH1A1 3041/4885PDE4B 1780/4885

“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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