SCHEMBL23950565

SCHEMBL23950565

Nc1c(C(=O)O)cc(Cl)nc1-c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MKNK1 Q9BUB5 5/20 0.47
▸ MKNK2 Q9HBH9 5/20 0.47
▸ KMO O15229 2/20 0.46
▸ DHODH Q02127 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NQO2 P16083 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ ADORA2B P29275 1/20 0.45
▸ PIM1 P11309 1/20 0.44
▸ PIM2 Q9P1W9 1/20 0.44
▸ EIF4E P06730 1/20 0.43
▸ IKBKB O14920 1/20 0.43
▸ KLK7 P49862 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ ATR Q13535 1/20 0.41

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
SCHEMBL30101935 1.00 ALDH1A1 (0.47) ALDH1A1L3MBTL1MKNK1MKNK2KMO
SCHEMBL23950751 0.90 MKNK1 (0.56) MKNK1MKNK2DHODHNQO2ADORA2A
SCHEMBL30101922 0.86 MAPK1 (0.52) ALDH1A1MKNK1MKNK2KDM4ENQO2
SCHEMBL23390484 0.86 MAPK1 (0.52) ALDH1A1MKNK1MKNK2KDM4ENQO2
SCHEMBL25463116 0.83 LMNA (0.51) ALDH1A1L3MBTL1MKNK1MKNK2KMO
SCHEMBL26295458 0.82 P2RX7 (0.46) KDM4EHTT
SCHEMBL26295468 0.81 MKNK1 (0.41) ALDH1A1L3MBTL1MKNK1MKNK2KDM4E
SCHEMBL26295471 0.79 ACVR1B (0.46) ALDH1A1KDM4EADORA2A
SCHEMBL26295453 0.79 ACVR1B (0.46) ALDH1A1KDM4EADORA2A
SCHEMBL25403249 0.77 AHR (0.44) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230147257-A1 PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2023-05-11 — — US disclosed
US-20230147257-A1 PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2023-05-11 — — US disclosed
US-20230147257-A1 PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2023-05-11 — — US disclosed
EP-4136088-A1 PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS Dong-A ST Co., Ltd. (KR) 2023-02-22 — — EP disclosed
WO-2021210970-A1 PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2021-10-21 — — WO disclosed
WO-2021210970-A1 PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2021-10-21 — — 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-20230147257-A1 PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS AHR, ARNT, AIPL1 ALDH1A1 276/4885L3MBTL1 4225/4885MKNK1 1120/4885

“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.

Send feedback