SCHEMBL25816728

SCHEMBL25816728

Cc1cncc([C@@H]2CCON2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.43
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CHRNB2 P17787 4/20 0.33
CHRNB4 P30926 4/20 0.33
CHRNA3 P32297 4/20 0.33
CHRNA4 P43681 4/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB3 Q05901 1/20 0.33
HCAR2 Q8TDS4 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31

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
SCHEMBL31200251 1.00 CYP2A6 (0.43) CYP2A6CYP11B1CYP11B2CHRNB2CHRNB4
SCHEMBL25816479 0.81 CYP11B1 (0.34) CYP11B1CYP11B2HCAR2
SCHEMBL30020231 0.81 CHRNB4 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL27040478 0.81 CHRNB4 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30020787 0.81 CHRNB4 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30020269 0.81 CYP11B1 (0.34) CYP11B1CYP11B2HCAR2
SCHEMBL30020800 0.81 CYP11B1 (0.34) CYP11B1CYP11B2HCAR2
SCHEMBL31200474 0.81 CYP11B1 (0.34) CYP11B1CYP11B2HCAR2
SCHEMBL27040925 0.81 CYP11B1 (0.34) CYP11B1CYP11B2HCAR2
SCHEMBL25816494 0.81 CYP11B1 (0.34) CYP11B1CYP11B2HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116547281-A Isoxazolidines as RIPK1 inhibitors and uses thereof 赛诺菲 2023-08-04 CN disclosed
US-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF SANOFI (FR) 2023-07-13 US disclosed
US-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF SANOFI (FR) 2023-07-13 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-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF RIPK1, RIPK4, RIPK2 CYP2A6 3197/4885CYP11B1 2940/4885CYP11B2 3141/4885

“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.