SCHEMBL27192044

SCHEMBL27192044

COc1cc(-c2cc3c(s2)c(=O)n(-c2cncc4cccnc24)c(=O)n3CCC#N)c(Cl)cc1F

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.32
▸ CYP1A2 P05177 7/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ SCN9A Q15858 4/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ CD274 Q9NZQ7 1/20 0.31
▸ GRM4 Q14833 1/20 0.31
▸ MEN1 O00255 3/20 0.31
▸ CASP1 P29466 3/20 0.31
▸ CASP7 P55210 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ P2RX3 P56373 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
SCHEMBL27192020 0.90 P2RX7 (0.34) CYP3A4CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL27192025 0.90 CYP1A2 (0.32) CYP3A4CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL30702030 0.89 P2RX3 (0.31) CYP3A4CYP1A2ALDH1A1SCN9AHSD17B10
SCHEMBL27192012 0.89 P2RX3 (0.31) CYP3A4CYP1A2ALDH1A1SCN9AHSD17B10
SCHEMBL27192054 0.87 LMNA (0.33) CYP3A4CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL30702000 0.87 LMNA (0.33) CYP3A4CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL30702077 0.86 CYP1A2 (0.32) CYP3A4CYP1A2ALDH1A1SCN9AHSD17B10
SCHEMBL27191908 0.86 CYP1A2 (0.32) CYP3A4CYP1A2ALDH1A1SCN9AHSD17B10
SCHEMBL30701993 0.86 LMNA (0.33) CYP3A4CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL27192282 0.86 LMNA (0.33) CYP3A4CYP1A2ALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12410183-B2 Sars-cov2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 — — US disclosed
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 — — EP disclosed
CN-119731159-A SARS-CoV2 main proteinase inhibitor 吉利德科学公司 2025-03-28 — — CN disclosed
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 — — US disclosed
US-12091420-B2 SARS-COV2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2024-09-17 — — US disclosed
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 — — US disclosed
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-04-11 — — US disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 — — WO 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 (5 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-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE CYP3A4 195/4885CYP1A2 152/4885ALDH1A1 3259/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE CYP3A4 195/4885CYP1A2 152/4885ALDH1A1 3259/4885
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE CYP3A4 195/4885CYP1A2 152/4885ALDH1A1 3259/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE CYP3A4 195/4885CYP1A2 152/4885ALDH1A1 3259/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE CYP3A4 195/4885CYP1A2 152/4885ALDH1A1 3259/4885

“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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