SCHEMBL25584792

SCHEMBL25584792

Cc1c(C#Cc2ccccn2)sc2c1SCCC(=O)N2C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 10/20 0.39
▸ BRD4 O60885 1/20 0.37
▸ NPC1 O15118 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PTPN7 P35236 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ HSD17B2 P37059 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
SCHEMBL25584797 0.81 BRD4 (0.33) GRM5BRD4
SCHEMBL25584799 0.80 CYP2A6 (0.42) GRM5BRD4CYP1A2
SCHEMBL25584964 0.77 ABL1 (0.36) —
SCHEMBL25586207 0.76 BRD4 (0.35) GRM5BRD4
SCHEMBL25584787 0.73 — —
SCHEMBL25587259 0.72 NPC1 (0.47) GRM5NPC1HCRTR1RAB9APOLB
SCHEMBL25586660 0.71 BRD4 (0.31) BRD4
SCHEMBL25587207 0.70 — —
SCHEMBL25587216 0.70 BRD4 (0.31) BRD4
SCHEMBL25586053 0.68 ALDH1A1 (0.31) —

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 3049/4885BRD4 1367/4885NPC1 2143/4885

“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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