SCHEMBL25463116

SCHEMBL25463116

Cc1cc(C(=O)O)c(N)c(-c2cccnc2)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ MKNK1 Q9BUB5 3/20 0.47
▸ MKNK2 Q9HBH9 3/20 0.47
▸ DHODH Q02127 3/20 0.46
▸ KMO O15229 2/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ CYP2A6 P11509 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ PIM2 Q9P1W9 1/20 0.44
▸ IKBKB O14920 1/20 0.43
▸ NPY5R Q15761 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42

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
SCHEMBL31464887 0.86 KDM4E (0.51) LMNAKDM4EHTTMKNK1MKNK2
SCHEMBL30312124 0.84 HTT (0.49) LMNAKDM4EHTTMKNK1MKNK2
SCHEMBL30101935 0.83 ALDH1A1 (0.47) LMNAKDM4EHTTMKNK1MKNK2
SCHEMBL23950565 0.83 ALDH1A1 (0.47) LMNAKDM4EHTTMKNK1MKNK2
SCHEMBL26276764 0.76 MKNK1 (0.52) LMNAKDM4EHTTMKNK1MKNK2
SCHEMBL30101970 0.75 DHODH (0.52) LMNAKDM4EHTTDHODHKMT2A
SCHEMBL23950691 0.75 DHODH (0.52) LMNAKDM4EHTTDHODHKMT2A
SCHEMBL23950751 0.74 MKNK1 (0.56) MKNK1MKNK2DHODHKMT2AIKBKB
SCHEMBL30311892 0.74 MAPK1 (0.50) KDM4EMKNK1MKNK2ALDH1A1CYP19A1
SCHEMBL23390311 0.74 DHODH (0.47) LMNAKDM4EHTTDHODH

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 1 patent. 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 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 LMNA 3455/4885KDM4E 1255/4885HTT 855/4885

“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.

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