SCHEMBL256746

SCHEMBL256746

Cc1cccc2c1[nH]c(=O)n2C

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 10/20 0.66
PDE3B Q13370 3/20 0.49
PDE3A Q14432 3/20 0.49
PDE2A O00408 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
LMNA P02545 1/20 0.44
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
PGR P06401 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.39
FTO Q9C0B1 1/20 0.39
DDO Q99489 1/20 0.39

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
SCHEMBL7884503 0.83 RXFP1 (0.47) DAOPDE3BPDE3APDE2ARXFP1
SCHEMBL16310134 0.79 DAO (0.64) DAODDO
SCHEMBL13194528 0.79 RXFP1 (0.56) DAOPDE3BPDE3APDE2ARXFP1
SCHEMBL29859972 0.79 RXFP1 (0.56) DAOPDE3BPDE3APDE2ARXFP1
SCHEMBL1853447 0.79 DAO (0.64) DAOPDE3BPDE3APDE2ARXFP1
SCHEMBL14692256 0.78 PDE3B (0.47) DAOPDE3BPDE3APDE2ALMNA
SCHEMBL30361050 0.78 PDE3B (0.47) DAOPDE3BPDE3APDE2ALMNA
SCHEMBL22972569 0.77 DAO (0.66) DAOPDE3BPDE3APDE2ARXFP1
SCHEMBL19779729 0.77 DAO (0.69) DAOPDE3BPDE3APDE2ARXFP1
SCHEMBL3064318 0.77 DAO (0.60) DAOLMNAPGR

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-20230212160-A1 2,4,6-TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AS ATR KINASE INHIBITORS BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2023-07-06 US disclosed
WO-2022092084-A1 FUSED HETEROCYCLE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT クミアイ化学工業株式会社 2022-05-05 WO disclosed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2012-03-08 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-20230212160-A1 2,4,6-TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 DAO 2844/4885PDE3B 2674/4885PDE3A 2709/4885

“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.