SCHEMBL25587241

SCHEMBL25587241

CN1C(=O)[C@@H](N)CCc2ccc(C#Cc3cccnc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 11/20 0.45
▸ RIPK1 Q13546 2/20 0.41
▸ GRM4 Q14833 2/20 0.40
▸ CYP19A1 P11511 2/20 0.39
▸ CYP11B1 P15538 2/20 0.39
▸ CYP11B2 P19099 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PAX8 Q06710 1/20 0.39

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
SCHEMBL25585024 0.80 CYP19A1 (0.49) GRM5GRM4CYP19A1CYP11B1CYP11B2
SCHEMBL25878873 0.80 RIPK1 (0.55) GRM5RIPK1
SCHEMBL26497736 0.78 BACE1 (0.41) RIPK1
SCHEMBL23075141 0.76 RIPK1 (0.47) RIPK1
SCHEMBL26497603 0.74 RIPK1 (0.39) RIPK1
SCHEMBL25586729 0.72 RIPK1 (0.56) GRM5RIPK1
SCHEMBL15964555 0.71 SRD5A1 (0.40) RIPK1CYP3A4
SCHEMBL31656001 0.71 SRD5A1 (0.40) RIPK1CYP3A4
SCHEMBL15964550 0.71 AADAT (0.50) —
SCHEMBL15964551 0.71 TSHR (0.43) —

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-20230167129-A1 HETEROCYCLIC AMIDE FOR INHIBITING RIP1 KINASE AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-06-01 — — 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-20230167129-A1 HETEROCYCLIC AMIDE FOR INHIBITING RIP1 KINASE AND USES THEREOF RIPK1, RIPK3, RIPK4 GRM5 3049/4885RIPK1 1/4885GRM4 3455/4885

“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.

Send feedback