SCHEMBL25552013

SCHEMBL25552013

COC(=O)c1ncc(CBr)c(-c2ccccc2F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.43
▸ CYP4A11 Q02928 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ BDKRB1 P46663 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CTSA P10619 3/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CCKAR P32238 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ HIF1A Q16665 2/20 0.35
▸ TACR3 P29371 1/20 0.35
▸ GPBAR1 Q8TDU6 1/20 0.35

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
SCHEMBL30036976 0.82 MBNL1 (0.43) ALDH1A1JAK2JAK3NPC1RAB9A
SCHEMBL25552011 0.82 MBNL1 (0.43) ALDH1A1JAK2JAK3NPC1RAB9A
SCHEMBL25551910 0.82 ALDH1A1 (0.56) CYP4F2CYP4A11ALDH1A1GABRA5LMNA
SCHEMBL25551949 0.72 CTSA (0.39) CYP4F2CYP4A11ALDH1A1JAK2BDKRB1
SCHEMBL30036962 0.72 CTSA (0.39) CYP4F2CYP4A11ALDH1A1JAK2BDKRB1
SCHEMBL30036948 0.69 ALDH1A1 (0.56) CYP4F2CYP4A11ALDH1A1GABRA5LMNA
SCHEMBL25551932 0.69 ALDH1A1 (0.56) CYP4F2CYP4A11ALDH1A1GABRA5LMNA
SCHEMBL29058668 0.68 KMT2A (0.43) ALDH1A1JAK2JAK3NPC1RAB9A
SCHEMBL30395322 0.68 KMT2A (0.43) ALDH1A1JAK2JAK3NPC1RAB9A
SCHEMBL9907775 0.68 HTR5A (0.51) ALDH1A1JAK2JAK3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159508-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-05-25 — — US disclosed
CN-115515940-A Inhibitors of receptor interacting protein kinase I for the treatment of disease 德州大学系统董事会 2022-12-23 — — CN 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-20230159508-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE RIPK1, RIPK2, RIPK4 CYP4F2 4829/4885CYP4A11 4813/4885ALDH1A1 4554/4885

“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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