SCHEMBL27192096

SCHEMBL27192096

Cc1n[nH]c2cncc(Br)c12

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
CYP1A2 P05177 1/20 0.32
BTK Q06187 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
SCHEMBL30702001 1.00 ADORA2A (0.34) ADORA2AADORA2BCYP1A2BTK
SCHEMBL10200881 0.79 ADORA2A (0.36) ADORA2AADORA2BCYP1A2BTK
SCHEMBL7703073 0.76 ADORA2A (0.34) ADORA2AADORA2BCYP1A2BTK
SCHEMBL6830412 0.72 PDPK1 (0.43) CYP1A2
SCHEMBL17875703 0.72 PDPK1 (0.36) ADORA2AADORA2BCYP1A2
SCHEMBL19780200 0.72 MAP2K1 (0.37) ADORA2AADORA2B
SCHEMBL31509722 0.72
SCHEMBL25112226 0.71 HCAR2 (0.34) ADORA2AADORA2BCYP1A2
SCHEMBL28616720 0.69 AMY1A (0.36) ADORA2AADORA2BCYP1A2
SCHEMBL24373241 0.68 CYP1A2 (0.35) ADORA2AADORA2BCYP1A2

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 10 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-116648248-B Aromatic compound, pharmaceutical composition containing same and application thereof 成都茵创园医药科技有限公司 2025-04-15 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
CN-116648248-A Aromatic compound, pharmaceutical composition containing same and application thereof 成都茵创园医药科技有限公司 2023-08-25 CN disclosed
WO-2022161414-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATION THEREOF 成都茵创园医药科技有限公司 2022-08-04 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 ADORA2A 4464/4885ADORA2B 4603/4885CYP1A2 152/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE ADORA2A 4464/4885ADORA2B 4603/4885CYP1A2 152/4885
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE ADORA2A 4464/4885ADORA2B 4603/4885CYP1A2 152/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE ADORA2A 4464/4885ADORA2B 4603/4885CYP1A2 152/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE ADORA2A 4464/4885ADORA2B 4603/4885CYP1A2 152/4885

“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.