SCHEMBL30035813

SCHEMBL30035813

[2H]C([2H])([2H])c1cnc(C(N)=O)nc1-c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR5A P47898 2/20 0.43
▸ CDC7 O00311 1/20 0.40
▸ DBF4 Q9UBU7 1/20 0.40
▸ MBNL1 Q9NR56 1/20 0.40
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ GRM2 Q14416 1/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ PARP1 P09874 2/20 0.36
▸ DHODH Q02127 2/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ SLC9A1 P19634 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ PRKD2 Q9BZL6 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ ATR Q13535 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
SCHEMBL30036500 0.91 HTR5A (0.48) HTR5ACDC7DBF4MBNL1NPC1
SCHEMBL30037588 0.88 DHODH (0.41) HTR5AMBNL1NPC1RAB9AADORA2A
SCHEMBL25559956 0.80 JAK2 (0.42) HTR5ACDC7DBF4MBNL1GRM2
SCHEMBL25552003 0.78 MBNL1 (0.47) HTR5AMBNL1NPC1RAB9ADHODH
SCHEMBL30037130 0.78 MBNL1 (0.47) HTR5AMBNL1NPC1RAB9ADHODH
SCHEMBL25552011 0.75 MBNL1 (0.43) HTR5AMBNL1NPC1RAB9AADORA2A
SCHEMBL30036976 0.75 MBNL1 (0.43) HTR5AMBNL1NPC1RAB9AADORA2A
SCHEMBL25552004 0.68 MBNL1 (0.51) HTR5AMBNL1NPC1RAB9AADORA2A
SCHEMBL30037152 0.68 KMO (0.42) MBNL1DHODHJAK2
SCHEMBL25551942 0.68 KMO (0.42) MBNL1DHODHJAK2

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 HTR5A 3551/4885CDC7 609/4885DBF4 3891/4885

“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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