SCHEMBL23458786

SCHEMBL23458786

[O]c1cnc(N2CCNCC2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
KDM4E B2RXH2 1/20 0.59
TAAR1 Q96RJ0 1/20 0.53
HRH1 P35367 1/20 0.47
USP2 O75604 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CASP1 P29466 6/20 0.44
CYP1A2 P05177 5/20 0.44
CASP7 P55210 5/20 0.44
HSD17B10 Q99714 5/20 0.44
HPGD P15428 4/20 0.44
TSHR P16473 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
CASP4 P49662 1/20 0.44
CASP5 P51878 1/20 0.44
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
CYP2D6 P10635 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
SCHEMBL7991455 0.79 ALDH1A1 (0.59) ALDH1A1KDM4ETAAR1HRH1USP2
SCHEMBL2739054 0.79 ALDH1A1 (0.59) ALDH1A1KDM4ETAAR1HRH1USP2
SCHEMBL573579 0.79 KDM4E (0.59) ALDH1A1KDM4ETAAR1HRH1USP2
SCHEMBL25255051 0.79 ALDH1A1 (0.59) ALDH1A1KDM4ETAAR1HRH1USP2
SCHEMBL4476809 0.79 KDM4E (0.59) ALDH1A1KDM4ETAAR1HRH1USP2
SCHEMBL3668289 0.79 ALDH1A1 (0.59) ALDH1A1KDM4ETAAR1HRH1USP2
SCHEMBL5102919 0.79 ALDH1A1 (0.59) ALDH1A1KDM4ETAAR1HRH1USP2
SCHEMBL2274356 0.79 ALDH1A1 (0.59) ALDH1A1KDM4ETAAR1HRH1USP2
SCHEMBL16654217 0.79 TAAR1 (0.57) ALDH1A1KDM4ETAAR1HRH1USP2
Hydrochloric Acid SCHEMBL25310447 0.78 ALDH1A1 (0.62) ALDH1A1KDM4ETAAR1HRH1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114761406-B Hydropyrido [1,2-a ] pyrazine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2024-04-19 CN claimed
EP-4069693-B1 HYDROPYRIDO[1,2-ALPHA]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES HOFFMANN LA ROCHE (CH) 2024-03-20 EP claimed
US-20230022297-A1 HYDROPYRIDO[1,2-a]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-01-26 US claimed
CN-114761406-A Hydropyrido [1,2-a ] pyrazine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2022-07-15 CN claimed
WO-2021110614-A1 HYDROPYRIDO[1,2-α]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-06-10 WO claimed
CN-114761406-B Hydropyrido [1,2-a ] pyrazine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2024-04-19 CN disclosed
EP-4069693-B1 HYDROPYRIDO[1,2-ALPHA]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES HOFFMANN LA ROCHE (CH) 2024-03-20 EP disclosed
US-20230022297-A1 HYDROPYRIDO[1,2-a]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-01-26 US disclosed
CN-114761406-A Hydropyrido [1,2-a ] pyrazine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2022-07-15 CN disclosed
WO-2021110614-A1 HYDROPYRIDO[1,2-α]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-06-10 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-20230022297-A1 HYDROPYRIDO[1,2-a]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE TLR7, TLR9, TLR5 ALDH1A1 2057/4885KDM4E 2893/4885TAAR1 188/4885

“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.