Sugi Predict

Sugi Predict / Compounds / SCHEMBL678251

SCHEMBL678251

SCHEMBL678251

CC(Br)c1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ GSK3B P49841 1/20 0.45
▸ CYP19A1 P11511 7/20 0.44
▸ CA12 O43570 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA3 P07451 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ TSHR P16473 2/20 0.40
▸ LOXL2 Q9Y4K0 2/20 0.40
▸ GRIA1 P42261 1/20 0.40
▸ GRIA2 P42262 1/20 0.40
▸ GRIA3 P42263 1/20 0.40
▸ GRIA4 P48058 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39

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
SCHEMBL13557870 0.80 CYP2A6 (0.52) CYP2A6ALDH1A1CYP19A1CA12CA2
SCHEMBL7799578 0.80 CYP2A6 (0.52) CYP2A6ALDH1A1CYP19A1CA12CA2
SCHEMBL87339 0.80 CYP2A6 (0.52) CYP2A6ALDH1A1CYP19A1CA12CA2
SCHEMBL4003869 0.80 GSK3B (0.48) CYP2A6ALDH1A1GSK3BCYP19A1CA12
SCHEMBL3872786 0.80 GSK3B (0.48) CYP2A6ALDH1A1GSK3BCYP19A1CA12
SCHEMBL1415320 0.79 ESR1 (0.38) CYP3A4CYP2C19
SCHEMBL23977347 0.76 HDAC8 (0.39) CA12CA2CA9CA14HDAC8
SCHEMBL320277 0.76 PGR (0.49) CYP2A6ALDH1A1GSK3BCYP19A1CA12
SCHEMBL678324 0.76 CYP2A6 (0.48) CYP2A6ALDH1A1CYP19A1CA12CA2
SCHEMBL4728041 0.76 PGR (0.49) CYP2A6ALDH1A1GSK3BCYP19A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101253160-A Improved process for the preparation of letrozole SICOR INC (US) 2008-08-27 — — CN claimed
CN-1049157-A The preparation method of cycloalkanylpyrrole SCHERING AG (DE) 1991-02-13 — — CN claimed
US-20260000642-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS TAY THERAPEUTICS LTD (GB) 2026-01-01 — — US disclosed
US-20250276976-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2025-09-04 — — US disclosed
US-20250263370-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS Tay Therapeutics Limited (GB) 2025-08-21 — — US disclosed
EP-4558224-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS Tay Therapeutics Limited (GB) 2025-05-28 — — EP disclosed
US-12275741-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2025-04-15 — — US disclosed
CN-118955409-A Cardiac sarcomere inhibitors 赛特凯恩蒂克公司 2024-11-15 — — CN disclosed
US-20240368172-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2024-11-07 — — US disclosed
US-20240287070-A1 FUSED HETEROCYCLIC DERIVATIVES JOHNSON & JOHNSON (CHINA) INVESTMENT LTD. (CN) 2024-08-29 — — US disclosed
US-20240279227-A1 FUSED HETEROCYCLIC DERIVATIVES JANSSEN BIOTECH, INC. 2024-08-22 — — US disclosed
EP-0833633-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-03-24 — — EP disclosed
US-5756528-A ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1998-05-26 — — US disclosed
EP-0833633-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-04-08 — — EP disclosed
CN-1161040-A Bicyclic tetrahydro pyrazolopyridines and their use as medicaments PFIZER (US) 1997-10-01 — — CN disclosed
WO-1996039137-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-12-12 — — WO disclosed
CN-1024345-C Process for preparing cycloalkanylpyrrole SCHERING AG (DE) 1994-04-27 — — CN disclosed
US-5026729-A Lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1991-06-25 — — US disclosed
CN-1049157-A The preparation method of cycloalkanylpyrrole SCHERING AG (DE) 1991-02-13 — — CN disclosed
EP-0052437-A1 Antibacterial compounds, processes for their preparation and compositions containing them BEECHAM GROUP PLC (GB) 1982-05-26 — — EP 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 (7 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-20240287070-A1 FUSED HETEROCYCLIC DERIVATIVES HAVCR2, HCCS, GOT2 CYP2A6 134/4885ALDH1A1 2000/4885GSK3B 964/4885
US-12275741-B2 Cardiac sarcomere inhibitors TNNI3, MYLK2, TNNT2 CYP2A6 3903/4885ALDH1A1 3517/4885GSK3B 1486/4885
US-20240368172-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, MYLK2, TNNT2 CYP2A6 3903/4885ALDH1A1 3517/4885GSK3B 1486/4885
US-20250276976-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, MYLK2, TNNT2 CYP2A6 3903/4885ALDH1A1 3517/4885GSK3B 1486/4885
US-20260000642-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS BET1, BRD4, PHKB CYP2A6 3532/4885ALDH1A1 4254/4885GSK3B 2851/4885
US-20250263370-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS BET1, PHKB, BRD4 CYP2A6 4657/4885ALDH1A1 4618/4885GSK3B 2014/4885
US-20240279227-A1 FUSED HETEROCYCLIC DERIVATIVES HAVCR2, HCCS, GOT2 CYP2A6 134/4885ALDH1A1 2000/4885GSK3B 964/4885

“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.