Sugi Predict

Sugi Predict / Compounds / SCHEMBL23950535

SCHEMBL23950535

SCHEMBL23950535

O=c1c2cc(-c3ccc(Cl)cc3)nc(-c3cccnc3)c2ncn1[C@@H]1CC[C@H](O)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ PIM1 P11309 6/20 0.36
▸ PSD A5PKW4 3/20 0.35
▸ CYP19A1 P11511 2/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ MYLK Q15746 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CNR1 P21554 1/20 0.34

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
SCHEMBL25463141 1.00 CLK1 (0.38) CLK1DYRK1AKCNH2CYP11B1CYP11B2
SCHEMBL23950537 1.00 CLK1 (0.38) CLK1DYRK1AKCNH2CYP11B1CYP11B2
SCHEMBL23950991 0.95 KCNH2 (0.38) CLK1DYRK1AKCNH2PIM1PSD
SCHEMBL23925577 0.95 CLK1 (0.41) CLK1DYRK1AKCNH2CYP11B1CYP11B2
SCHEMBL23925576 0.95 CLK1 (0.41) CLK1DYRK1AKCNH2CYP11B1CYP11B2
SCHEMBL25463926 0.95 CLK1 (0.41) CLK1DYRK1AKCNH2CYP11B1CYP11B2
SCHEMBL23950769 0.93 CYP2A6 (0.39) CLK1DYRK1AKCNH2PIM1MYLK
SCHEMBL30101964 0.93 CYP2A6 (0.39) CLK1DYRK1AKCNH2PIM1MYLK
SCHEMBL23925582 0.93 CYP2A6 (0.39) CLK1DYRK1AKCNH2PIM1MYLK
SCHEMBL23925575 0.89 CYP11B1 (0.39) CLK1DYRK1AKCNH2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115443276-B Pyridopyrimidinone derivatives and their use as arene receptor modulators 东亚ST株式会社 2025-04-18 — — CN claimed
CN-115443276-A Pyridopyrimidinone derivatives and their use as modulators of aromatic hydrocarbon receptors 东亚ST株式会社 2022-12-06 — — CN claimed
CN-115443276-B Pyridopyrimidinone derivatives and their use as arene receptor modulators 东亚ST株式会社 2025-04-18 — — CN 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
CN-115443276-A Pyridopyrimidinone derivatives and their use as modulators of aromatic hydrocarbon receptors 东亚ST株式会社 2022-12-06 — — CN 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 CLK1 4122/4885DYRK1A 2368/4885KCNH2 4013/4885

“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.