SCHEMBL27192076

SCHEMBL27192076

Nc1cncc2cccc(Cl)c12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRIN1 Q05586 4/20 0.39
GRIN2A Q12879 4/20 0.39
ACHE P22303 2/20 0.39
GAA P10253 2/20 0.39
BCHE P06276 2/20 0.38
TSHR P16473 1/20 0.38
NR4A2 P43354 3/20 0.38
ALDH1A1 P00352 1/20 0.38
NOS1 P29475 1/20 0.37
CYP2A6 P11509 1/20 0.35
AHR P35869 1/20 0.35
IMPDH2 P12268 1/20 0.35

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
SCHEMBL2002397 0.84 CYP3A4 (0.46) CYP1A2LMNACYP3A4CYP2D6CYP2C9
SCHEMBL31732851 0.81 CYP3A4 (0.50) CYP1A2LMNACYP3A4CYP2D6CYP2C9
SCHEMBL637008 0.81 CYP3A4 (0.50) CYP1A2LMNACYP3A4CYP2D6CYP2C9
SCHEMBL30064915 0.76 TSHR (0.52) CYP1A2CYP3A4GAATSHRNR4A2
SCHEMBL4076360 0.76 TSHR (0.52) CYP1A2CYP3A4GAATSHRNR4A2
SCHEMBL17301339 0.76 BACE1 (0.41) CYP1A2LMNACYP3A4CYP2D6CYP2C9
SCHEMBL27191914 0.76 CYP1A2 (0.41) CYP1A2LMNACYP3A4CYP2D6CYP2C9
SCHEMBL17278414 0.76 CYP3A4 (0.41) CYP1A2LMNACYP3A4CYP2D6CYP2C9
SCHEMBL24308562 0.76 NOS1 (0.37) CYP1A2GRIN1GRIN2AACHEGAA
SCHEMBL20974931 0.76 NOS1 (0.37) CYP1A2GRIN1GRIN2AACHEGAA

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 9 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
WO-2025058977-A1 MODULATORS OF CORONAVIRUS 3C-LIKE PROTEASE AND USES THEREOF Vir Biotechnology, Inc. (US) 2025-03-20 WO 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 CYP1A2 152/4885LMNA 3885/4885CYP3A4 195/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE CYP1A2 152/4885LMNA 3885/4885CYP3A4 195/4885
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE CYP1A2 152/4885LMNA 3885/4885CYP3A4 195/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE CYP1A2 152/4885LMNA 3885/4885CYP3A4 195/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE CYP1A2 152/4885LMNA 3885/4885CYP3A4 195/4885

“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.