SCHEMBL23950995

SCHEMBL23950995

O=c1c2cc(-c3ccc(C(F)(F)F)cc3)nc(-c3cccnc3)c2ncn1C1CCC(O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.40
HTR6 P50406 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
KCNH2 Q12809 1/20 0.37
PIM1 P11309 4/20 0.37
S1PR1 P21453 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
MAPK14 Q16539 3/20 0.36
BRD4 O60885 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL25463934 1.00 HTR2B (0.40) HTR2BHTR6CYP11B1CYP11B2CLK1
SCHEMBL23925713 0.95 CYP11B1 (0.39) HTR2BHTR6CYP11B1CYP11B2CLK1
SCHEMBL23951140 0.95 CYP11B1 (0.39) HTR2BHTR6CYP11B1CYP11B2CLK1
SCHEMBL23925575 0.95 CYP11B1 (0.39) HTR2BHTR6CYP11B1CYP11B2CLK1
SCHEMBL25463193 0.91 ACVR1 (0.40) HTR2BHTR6CYP11B1CYP11B2CLK1
SCHEMBL23950775 0.90 MAPK14 (0.44) HTR2BHTR6CYP11B1CYP11B2CLK1
SCHEMBL23925576 0.89 CLK1 (0.41) CYP11B1CYP11B2CLK1DYRK1AKCNH2
SCHEMBL25463926 0.89 CLK1 (0.41) CYP11B1CYP11B2CLK1DYRK1AKCNH2
SCHEMBL23925577 0.89 CLK1 (0.41) CYP11B1CYP11B2CLK1DYRK1AKCNH2
SCHEMBL23925444 0.87 KCNH2 (0.51) HTR2BHTR6CYP11B1CYP11B2KCNH2

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 HTR2B 426/4885HTR6 167/4885CYP11B1 522/4885

“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.