SCHEMBL23925562

SCHEMBL23925562

O=c1c2cc(-c3ccc(C(F)(F)F)cc3)nc(-c3cccnc3)c2ncn1[C@@H]1CCCC[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.51
ALOX5 P09917 1/20 0.42
CHRM1 P11229 1/20 0.42
CYP2C9 P11712 1/20 0.42
PIM1 P11309 1/20 0.36
CYP11B1 P15538 2/20 0.36
TRPV3 Q8NET8 5/20 0.35
HTR2B P41595 1/20 0.35
HTR6 P50406 1/20 0.35
CYP11B2 P19099 1/20 0.35
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
VCP P55072 1/20 0.35
TOP1 P11387 1/20 0.35
GRM2 Q14416 1/20 0.35
SCN9A Q15858 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
SCHEMBL23925444 1.00 KCNH2 (0.51) KCNH2ALOX5CHRM1CYP2C9PIM1
SCHEMBL23950665 1.00 KCNH2 (0.51) KCNH2ALOX5CHRM1CYP2C9PIM1
SCHEMBL23925516 0.89 KCNH2 (0.54) KCNH2ALOX5CHRM1CYP2C9PIM1
SCHEMBL25463136 0.89 KCNH2 (0.54) KCNH2ALOX5CHRM1CYP2C9PIM1
SCHEMBL23950996 0.89 KCNH2 (0.54) KCNH2ALOX5CHRM1CYP2C9PIM1
SCHEMBL25463193 0.89 ACVR1 (0.40) KCNH2PIM1CYP11B1HTR2BHTR6
SCHEMBL23950995 0.87 HTR2B (0.40) KCNH2PIM1CYP11B1HTR2BHTR6
SCHEMBL25463934 0.87 HTR2B (0.40) KCNH2PIM1CYP11B1HTR2BHTR6
SCHEMBL23925713 0.86 CYP11B1 (0.39) KCNH2PIM1CYP11B1HTR2BHTR6
SCHEMBL23951140 0.86 CYP11B1 (0.39) KCNH2PIM1CYP11B1HTR2BHTR6

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 11 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
US-20230147257-A1 PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2023-05-11 US claimed
EP-4136088-A1 PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS Dong-A ST Co., Ltd. (KR) 2023-02-22 EP claimed
WO-2021210970-A1 PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2021-10-21 WO 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
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
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 4013/4885ALOX5 386/4885CHRM1 1723/4885

“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.