SCHEMBL30702003

SCHEMBL30702003

COc1ccc2cncc(N)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 0.51
CYP11B2 P19099 12/20 0.51
CYP3A4 P08684 5/20 0.51
CYP1A2 P05177 4/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2B6 P20813 1/20 0.51
CYP17A1 P05093 5/20 0.50
EGFR P00533 2/20 0.49
NCF1 P14598 1/20 0.46
PDE10A Q9Y233 1/20 0.43
BCHE P06276 1/20 0.43
CHRM1 P11229 1/20 0.43
ACHE P22303 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL27192178 1.00 CYP11B1 (0.51) CYP11B1CYP11B2CYP3A4CYP1A2CYP2C9
SCHEMBL30824358 0.80 CYP11B1 (0.53) CYP11B1CYP11B2CYP3A4CYP1A2CYP2C9
SCHEMBL15647524 0.80 CYP11B1 (0.53) CYP11B1CYP11B2CYP3A4CYP1A2CYP2C9
SCHEMBL28062485 0.79 CYP11B1 (0.57) CYP11B1CYP11B2CYP3A4CYP1A2CYP2C9
SCHEMBL27192288 0.79 CYP11B1 (0.51) CYP11B1CYP11B2CYP3A4CYP1A2CYP2C9
SCHEMBL24916399 0.76 CYP11B2 (0.49) CYP11B1CYP11B2CYP3A4CYP1A2CYP2C9
SCHEMBL1705752 0.76 PDE10A (0.55) CYP11B1CYP11B2CYP3A4CYP1A2CYP2C9
SCHEMBL29501870 0.76 CYP11B1 (0.68) CYP11B1CYP11B2CYP3A4CYP1A2CYP2C9
SCHEMBL8286180 0.76 TDP1 (0.41) CYP3A4CYP1A2CYP2C9CYP2D6CYP2C19
SCHEMBL30702109 0.76 TDP1 (0.41) CYP3A4CYP1A2CYP2C9CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250296936-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-09-25 US disclosed
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
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
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 CYP11B1 3367/4885CYP11B2 1461/4885CYP3A4 195/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE CYP11B1 3367/4885CYP11B2 1461/4885CYP3A4 195/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE CYP11B1 3367/4885CYP11B2 1461/4885CYP3A4 195/4885
US-20250296936-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE CYP11B1 3185/4885CYP11B2 1260/4885CYP3A4 212/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE CYP11B1 3367/4885CYP11B2 1461/4885CYP3A4 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.