SCHEMBL25246367

SCHEMBL25246367

[CH2]c1cnc(N2CCNCC2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 2/20 0.46
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
HTR1A P08908 2/20 0.43
HTR2C P28335 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
HTR2A P28223 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
CASP1 P29466 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42
BPTF Q12830 2/20 0.41
HRH4 Q9H3N8 1/20 0.41

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
SCHEMBL2629281 0.78 PLD1 (0.47) PLD1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL31296405 0.77 ALDH1A1 (0.56) PLD1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1763039 0.77 PLD1 (0.46) PLD1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL30442450 0.77 CHRNB2 (0.56) PLD1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL31106281 0.77 HRH3 (0.50) PLD1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL11271627 0.77 ALDH1A1 (0.56) PLD1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1433962 0.77 CHRNB2 (0.56) PLD1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL14916857 0.77 HRH3 (0.50) PLD1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL13998021 0.77 PLD1 (0.46) PLD1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL9942588 0.77 PLD1 (0.46) PLD1ALDH1A1KDM4ECYP1A2CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295109-A1 PYRIDINONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-09-21 US claimed
CN-116323589-A Pyridone compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2023-06-23 CN claimed
EP-4192822-A1 PYRIDINONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2023-06-14 EP claimed
US-20230295109-A1 PYRIDINONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-09-21 US disclosed
CN-116323589-A Pyridone compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2023-06-23 CN 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-20230295109-A1 PYRIDINONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE PNPO, PDXK, C5 PLD1 1920/4885ALDH1A1 380/4885KDM4E 1214/4885

“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.