SCHEMBL23950991

SCHEMBL23950991

O=c1c2cc(-c3ccc(Cl)cc3)nc(-c3cccnc3)c2ncn1C1CCCC(O)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
PIM1 P11309 9/20 0.36
CNR1 P21554 1/20 0.36
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.34
BTK Q06187 1/20 0.34
PSD A5PKW4 2/20 0.34
CYP19A1 P11511 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
SCHEMBL23950535 0.95 CLK1 (0.38) KCNH2PIM1CNR1CLK1DYRK1A
SCHEMBL23950537 0.95 CLK1 (0.38) KCNH2PIM1CNR1CLK1DYRK1A
SCHEMBL25463141 0.95 CLK1 (0.38) KCNH2PIM1CNR1CLK1DYRK1A
SCHEMBL23925576 0.90 CLK1 (0.41) KCNH2PIM1CNR1CLK1DYRK1A
SCHEMBL25463926 0.90 CLK1 (0.41) KCNH2PIM1CNR1CLK1DYRK1A
SCHEMBL23925577 0.90 CLK1 (0.41) KCNH2PIM1CNR1CLK1DYRK1A
SCHEMBL23950769 0.88 CYP2A6 (0.39) KCNH2PIM1CLK1DYRK1A
SCHEMBL30101964 0.88 CYP2A6 (0.39) KCNH2PIM1CLK1DYRK1A
SCHEMBL23925582 0.88 CYP2A6 (0.39) KCNH2PIM1CLK1DYRK1A
SCHEMBL23950996 0.85 KCNH2 (0.54) KCNH2PIM1CNR1CYP1A2CYP3A4

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
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-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 KCNH2 4013/4885PIM1 3686/4885CNR1 175/4885

“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.