SCHEMBL22288422

SCHEMBL22288422

C[C@@H]1NC(=O)NN=C1c1ccc(N2CC(C)(O)C2)c(C(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 19/20 0.71
▸ PDE3A Q14432 18/20 0.71
▸ PDE4A P27815 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ NOTUM Q6P988 1/20 0.43

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
SCHEMBL30966600 1.00 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL28615200 0.92 PDE3B (0.61) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL28626629 0.92 PDE3B (0.61) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL30966662 0.86 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL22288567 0.86 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL28628042 0.84 PDE3B (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL20702638 0.83 PDE3B (1.00) PDE3BPDE3A
SCHEMBL29842639 0.83 PDE3B (1.00) PDE3BPDE3A
SCHEMBL28615454 0.83 PDE3B (0.59) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL28616726 0.83 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113348165-B 1,2, 4-Triazin-3 (2H) -one compounds for the treatment of hyperproliferative diseases 拜耳股份有限公司 2024-06-25 — — CN claimed
CN-113348165-A 1,2, 4-triazin-3 (2H) -one compounds for the treatment of hyperproliferative diseases 拜耳股份有限公司 2021-09-03 — — CN claimed
CN-113348165-B 1,2, 4-Triazin-3 (2H) -one compounds for the treatment of hyperproliferative diseases 拜耳股份有限公司 2024-06-25 — — CN disclosed
EP-3917915-A1 1,2,4-TRIAZIN-3(2H)-ONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES Bayer Aktiengesellschaft (DE) 2021-12-08 — — EP disclosed
US-20210353630-A1 1,2,4-TRIAZIN-3(2H)-ONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2021-11-18 — — US disclosed
CN-113348165-A 1,2, 4-triazin-3 (2H) -one compounds for the treatment of hyperproliferative diseases 拜耳股份有限公司 2021-09-03 — — CN disclosed
WO-2020157194-A1 1,2,4-TRIAZIN-3(2H)-ONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 — — WO disclosed
WO-2020157194-A1 1,2,4-TRIAZIN-3(2H)-ONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 — — 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-20210353630-A1 1,2,4-TRIAZIN-3(2H)-ONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES CCNA1, CCNA2, CCNT2 PDE3B 2576/4885PDE3A 2796/4885PDE4A 3071/4885

“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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