SCHEMBL23266336

SCHEMBL23266336

CC(C)C(=O)c1ncon1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.37
▸ FFAR1 O14842 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ DBH P09172 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RECQL P46063 1/20 0.31

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
SCHEMBL1832217 0.76 — —
SCHEMBL4479233 0.73 — —
SCHEMBL23113893 0.71 — —
SCHEMBL8458175 0.71 — —
SCHEMBL14152761 0.69 CES1 (0.36) CES1
SCHEMBL13820572 0.69 P2RX7 (0.43) CES1FFAR1KDM4EDBHGAA
SCHEMBL31299811 0.66 CES1 (0.35) CES1KDM4EGAA
Dichloroacetic Acid SCHEMBL31299812 0.66 CES1 (0.38) CES1KDM4E
SCHEMBL25139892 0.64 PTK2 (0.40) FFAR1KDM4EDBHGAARECQL
SCHEMBL19002682 0.62 PIK3CD (0.45) FFAR1KDM4EDBHGAARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873903-B1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS AS HPK1 INHIBITORS GILEAD SCIENCES INC (US) 2024-01-24 — — EP disclosed
US-20230159558-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-25 — — US disclosed
US-20220213091-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS GILEAD SCIENCES, INC. 2022-07-07 — — US disclosed
US-11203591-B2 Substituted 6-azabenzimidazole compounds GILEAD SCIENCES, INC. (US) 2021-12-21 — — US disclosed
US-20210115037-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS GILEAD SCIENCES, INC. 2021-04-22 — — 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 (4 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-20210115037-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS CDK6, HIPK1, DCK CES1 1984/4885FFAR1 4304/4885KDM4E 1027/4885
US-11203591-B2 Substituted 6-azabenzimidazole compounds CDK6, HIPK1, DCK CES1 1984/4885FFAR1 4304/4885KDM4E 1027/4885
US-20220213091-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS CDK6, HIPK1, DCK CES1 1984/4885FFAR1 4304/4885KDM4E 1027/4885
US-20230159558-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF RIPK1, RIPK3, RIPK4 CES1 2757/4885FFAR1 2879/4885KDM4E 3571/4885

“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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