SCHEMBL746198

SCHEMBL746198

CC(C)(O)c1cncc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
CYP11B2 P19099 17/20 0.41
CYP11B1 P15538 14/20 0.41
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL3647016 0.83 RAB9A (0.39) POLBHCAR2CYP11B2CYP11B1CYP3A4
SCHEMBL2732538 0.82 CYP1A2 (0.39) POLBHCAR2CYP11B2CYP11B1CYP3A4
SCHEMBL433999 0.80 CYP11B2 (0.44) CYP11B2CYP11B1CYP19A1CYP2C9
SCHEMBL30559767 0.79 CYP1A2 (0.39) POLBHCAR2CYP11B2CYP11B1CYP3A4
SCHEMBL29252928 0.79 CYP1A2 (0.39) POLBHCAR2CYP11B2CYP11B1CYP3A4
SCHEMBL28777961 0.79 CYP1A2 (0.39) POLBHCAR2CYP11B2CYP11B1CYP3A4
SCHEMBL15474181 0.79 CYP11B1 (0.37) POLBHCAR2CYP11B2CYP11B1CYP3A4
SCHEMBL24534060 0.78 CYP11B1 (0.42) POLBHCAR2CYP11B2CYP11B1CYP3A4
SCHEMBL22795696 0.78 POLB (0.41) POLBHCAR2CYP11B2CYP11B1CYP19A1
SCHEMBL3507833 0.78 CYP11B1 (0.42) POLBHCAR2CYP11B2CYP11B1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260138978-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIV (US) 2026-05-21 US disclosed
EP-4605089-A1 COMPOUNDS USEFUL IN MODULATING EGFR AND PI3K Mekanistic Therapeutics LLC (US) 2025-08-27 EP disclosed
WO-2025101914-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS HAVING IMPROVED THERAPEUTIC INDEX AGAINST SOLID TUMORS MEKANISTIC THERAPEUTICS LLC (US) 2025-05-15 WO disclosed
US-20250017914-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. 2025-01-16 US disclosed
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy XRAD THERAPEUTICS, INC. (US) 2025-01-07 US disclosed
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-18 US disclosed
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-18 US disclosed
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-18 US disclosed
EP-4399210-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES Black Diamond Therapeutics, Inc. (US) 2024-07-17 EP disclosed
CN-118159537-A 6-Aza-quinoline derivatives and related uses 黑钻治疗公司 2024-06-07 CN disclosed
WO-2004045508-A2 USE OF PDE4 INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO., INC. (US) 2004-06-03 WO disclosed
US-6743802-B2 ASTHMA THERAPY; ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2004-06-01 US disclosed
US-20040102472-A1 Method of preparing inhibitors of phosphodiesterase-4 MERCK & CO., INC. 2004-05-27 US disclosed
EP-1397359-A1 1-BIARYL-1,8-NAPTHYRIDIN-4-ONE PHOSPHODIESTERASE-4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-03-17 EP disclosed
US-6677351-B2 USEFUL IN TREATMENT OF ASTHMA AND INFLAMMATION MERCK FROSST CANADA & CO. (CA) 2004-01-13 US disclosed
WO-2004000814-A1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-12-31 WO disclosed
US-20030114478-A1 Alkyne-aryl phosphodiesterase-4 inhibitors MERCK CANADA INC. (CA) 2003-06-19 US disclosed
US-20030096829-A1 1-biaryl-1,8-naphthyridin-4-one phosphodiesterase-4 inhibitors MERCK FROSST CANADA LTD. (CA) 2003-05-22 US disclosed
WO-2003018579-A1 ALKYNE-ARYL PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-03-06 WO disclosed
WO-2002094823-A1 1-BIARYL-1,8-NAPTHYRIDIN-4-ONE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2002-11-28 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 (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-20040102472-A1 Method of preparing inhibitors of phosphodiesterase-4 PDE4B, PDE4A, PDE5A POLB 846/4885HCAR2 3472/4885CYP11B2 66/4885
US-20030096829-A1 1-biaryl-1,8-naphthyridin-4-one phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE7A POLB 404/4885HCAR2 2258/4885CYP11B2 227/4885
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS EGFR, ERBB2, ERBB3 POLB 521/4885HCAR2 4305/4885CYP11B2 2635/4885
US-20030114478-A1 Alkyne-aryl phosphodiesterase-4 inhibitors PDE4A, PDE3B, PDE4B POLB 2537/4885HCAR2 1012/4885CYP11B2 152/4885
US-20250017914-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES TOP2A, TOP2B, UGT2B7 POLB 416/4885HCAR2 3300/4885CYP11B2 87/4885
US-20260138978-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM4, CHRM2 POLB 3104/4885HCAR2 439/4885CYP11B2 1716/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 POLB 27/4885HCAR2 4743/4885CYP11B2 2103/4885

“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.