Sugi Predict

Sugi Predict / Compounds / SCHEMBL1460948

SCHEMBL1460948

SCHEMBL1460948

Cc1ccncc1C#C[Si](C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 8/20 0.56
▸ CYP2C19 P33261 7/20 0.56
▸ CYP2D6 P10635 7/20 0.56
▸ CYP1A2 P05177 7/20 0.56
▸ CYP2E1 P05181 6/20 0.56
▸ CYP2B6 P20813 6/20 0.56
▸ CYP2C9 P11712 6/20 0.56
▸ CYP2C8 P10632 5/20 0.56
▸ CYP3A4 P08684 4/20 0.56
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ SIRT3 Q9NTG7 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAPT P10636 3/20 0.31
▸ CYP17A1 P05093 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 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
SCHEMBL30107434 1.00 CYP2A6 (0.56) CYP2A6CYP2C19CYP2D6CYP1A2CYP2E1
SCHEMBL15020453 0.84 CYP2C19 (0.40) CYP2A6CYP2C19CYP2D6CYP1A2CYP2E1
SCHEMBL23704250 0.79 CYP2A6 (0.59) CYP2A6CYP2C19CYP2D6CYP1A2CYP2E1
SCHEMBL3889056 0.78 GAA (0.41) CYP2A6CYP2C19CYP2D6CYP1A2CYP2E1
SCHEMBL15125412 0.78 CYP2C19 (0.35) CYP2A6CYP2C19CYP2D6CYP1A2CYP2E1
SCHEMBL1337907 0.78 GAA (0.36) CYP2A6CYP2C19CYP2D6CYP1A2CYP2E1
SCHEMBL23502739 0.78 CYP2A6 (0.58) CYP2A6CYP2C19CYP2D6CYP1A2CYP2E1
SCHEMBL27896470 0.76 CYP2A6 (0.61) CYP2A6CYP2C19CYP2D6CYP1A2CYP2E1
SCHEMBL21523698 0.74 GAA (0.41) CYP2A6CYP2C19CYP2D6CYP1A2CYP2E1
SCHEMBL21523844 0.74 LOXL2 (0.37) CYP2A6CYP2C19CYP2D6CYP1A2CYP2E1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182465-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2024-06-06 — — US disclosed
CN-117460732-A Pyrrolopyridone compounds, preparation method and application thereof 杭州中美华东制药有限公司 2024-01-26 — — CN disclosed
EP-4303216-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-01-10 — — EP disclosed
EP-3601284-B1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 HOFFMANN LA ROCHE (CH) 2023-12-27 — — EP disclosed
CN-116981661-A Condensed ring substituted six-membered heterocyclic compound, preparation method and application thereof 劲方医药科技(上海)有限公司 2023-10-31 — — CN disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 — — WO disclosed
CN-110678466-B Diazanaphthalenes as HPK1 inhibitors 豪夫迈·罗氏有限公司 2023-01-31 — — CN disclosed
WO-2022258044-A1 PYRROLOPYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州中美华东制药有限公司 2022-12-15 — — WO disclosed
WO-2022258044-A1 PYRROLOPYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州中美华东制药有限公司 2022-12-15 — — WO disclosed
WO-2022184152-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2022-09-09 — — WO disclosed
WO-2016016383-A1 6,7-DIHYDROPYRAZOLO[1,5-α]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-04 — — WO disclosed
WO-2013092467-A1 7-AZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 — — WO disclosed
US-20130158049-A1 7-AZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 — — US disclosed
US-20130158049-A1 7-AZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 — — US disclosed
CN-102781931-A 5-alkynyl pyrimidines and their use as kinase inhibitors BOEHRINGER INGELHEIM INT 2012-11-14 — — CN disclosed
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 — — EP disclosed
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 — — CN disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 — — WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 — — US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 — — 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 (3 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E CYP2A6 1523/4885CYP2C19 1518/4885CYP2D6 1817/4885
US-20130158049-A1 7-AZAINDOLE INHIBITORS OF CRAC ORAI1, CACNA1I, RYR2 CYP2A6 1519/4885CYP2C19 2373/4885CYP2D6 2461/4885
US-20240182465-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, HASPIN CYP2A6 667/4885CYP2C19 1180/4885CYP2D6 722/4885

“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.