SCHEMBL25559586

SCHEMBL25559586

NC(=O)c1ncc(Cl)c(-c2cncc(F)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.43
▸ ADORA2B P29275 1/20 0.43
▸ CYP11B2 P19099 10/20 0.38
▸ CYP11B1 P15538 5/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ CYP17A1 P05093 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ CSNK1E P49674 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35
▸ ABL1 P00519 2/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ CDK9 P50750 1/20 0.33

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
SCHEMBL25210572 0.87 HCAR2 (0.42) NQO2ADORA2BCYP11B2CYP11B1CYP19A1
SCHEMBL25566923 0.74 HTR5A (0.51) CSNK1D
SCHEMBL25211840 0.74 KMO (0.43) —
SCHEMBL25551841 0.69 KMO (0.57) PTGDR2
SCHEMBL7064548 0.68 POLB (0.40) MAP4K4CDC7
SCHEMBL25234137 0.68 KMO (0.46) —
SCHEMBL25552102 0.67 HCAR2 (0.38) HCAR2
SCHEMBL3625940 0.65 HPGDS (0.44) MAP4K4CSNK1D
SCHEMBL25551795 0.65 KMO (0.59) —
SCHEMBL25211353 0.65 KMO (0.56) PTGDR2

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-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

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 NQO2 3387/4885ADORA2B 4277/4885CYP11B2 4704/4885

“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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