SCHEMBL25585039

SCHEMBL25585039

CN1C(=O)CCCc2ccc(C#Cc3ccncc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 4/20 0.38
▸ BMPR1B O00238 1/20 0.38
▸ BMPR1A P36894 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ ACVRL1 P37023 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ CYP19A1 P11511 6/20 0.37
▸ CYP11B1 P15538 5/20 0.37
▸ CYP11B2 P19099 5/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP17A1 P05093 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ GRM4 Q14833 2/20 0.36
▸ PIKFYVE Q9Y2I7 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ SRD5A1 P18405 1/20 0.34
▸ SRD5A2 P31213 1/20 0.34

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 0.85 CYP19A1 (0.49) GRM5CYP19A1CYP11B1CYP11B2CYP3A4
SCHEMBL25587249 0.79 BACE1 (0.42) —
SCHEMBL30832140 0.78 SLC6A4 (0.40) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL25586411 0.77 GRM5 (0.40) GRM5CYP11B1CYP11B2
SCHEMBL25585093 0.77 LMNA (0.38) GRM5CYP19A1CYP11B1CYP11B2CYP3A4
SCHEMBL23081900 0.74 RIPK1 (0.43) GRM5CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL23075162 0.74 RIPK1 (0.43) —
SCHEMBL25556119 0.74 CYP11B1 (0.46) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10196915 0.72 ALDH1A1 (0.51) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL2062210 0.71 ATAD2 (0.44) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1

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 3049/4885BMPR1B 2155/4885BMPR1A 1377/4885

“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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