SCHEMBL23925506

SCHEMBL23925506

O=c1c2cc(-c3ccc(Cl)cc3)nc(-c3cccnc3)c2ncn1-c1cccc(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
PSD A5PKW4 3/20 0.40
CYP3A4 P08684 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
GAA P10253 1/20 0.39
CYP19A1 P11511 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MCHR1 Q99705 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
GRM1 Q13255 2/20 0.37
FYN P06241 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL30101933 1.00 MAPT (0.44) MAPTPSDCYP3A4CYP1A2CYP2C9
SCHEMBL23925539 0.89 MAPT (0.44) MAPTPSDESR1ESR2CYP11B1
SCHEMBL23950574 0.85 ADORA2A (0.41) MAPTPSDCYP3A4CYP1A2CYP2C9
SCHEMBL23950998 0.84 FYN (0.38) ESR1ESR2MCHR1GRM1FYN
SCHEMBL23950718 0.81 PSD (0.43) PSDCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL26275699 0.80 CYP2A6 (0.39) MAPTPSDCYP3A4CYP2C9CYP2C19
SCHEMBL26287834 0.79 ADORA2A (0.39) MAPTPSDCYP3A4CYP1A2CYP2C9
SCHEMBL23390267 0.78 PSD (0.41) PSDCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL23950761 0.78 PSD (0.41) PSDCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL23390278 0.78 PSD (0.41) MAPTPSDCYP3A4CYP1A2CYP2C9

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 9 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 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
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 MAPT 4052/4885PSD 3850/4885CYP3A4 237/4885

“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.