SCHEMBL1067199

SCHEMBL1067199

COC(=O)CCc1cccc(N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.54
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
CYP19A1 P11511 1/20 0.49
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
PTPN1 P18031 2/20 0.44
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
BRD4 O60885 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
FFAR1 O14842 1/20 0.42
SLC7A5 Q01650 1/20 0.42

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
Hydrochloric Acid SCHEMBL1788098 0.98 SIRT2 (0.53) SIRT2MAOAMAOBCYP19A1THRA
SCHEMBL3913014 0.90 MAOA (0.47) SIRT2MAOAMAOBCYP19A1THRA
SCHEMBL6194181 0.89 HDAC6 (0.50) SIRT2MAOAMAOBCYP19A1CYP4F2
Hydrochloric Acid SCHEMBL7999705 0.89 MAOA (0.49) SIRT2MAOAMAOBCYP19A1THRA
Hydrochloric Acid SCHEMBL28005596 0.88 HDAC6 (0.49) SIRT2MAOAMAOBCYP19A1CYP4F2
SCHEMBL3914764 0.85 FFAR1 (0.54) THRATHRBKDM4EALDH1A1LMNA
SCHEMBL16016129 0.85 MAOB (0.52) SIRT2MAOAMAOBCYP19A1THRA
SCHEMBL1068218 0.84 CYP4F2 (0.55) MAOAMAOBCYP19A1THRATHRB
SCHEMBL3193808 0.84 SIRT2 (0.62) SIRT2PTPN1CYP4F2CYP4A11CA12
SCHEMBL5043214 0.83 LOXL2 (0.57) SIRT2PTPN1CYP4F2CYP4A11TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240398776-A1 INHIBITORS OF TGF-BETA R1 (ALK5) USEFUL TO TREAT CELL PROLIFERATION DISORDERS NEXYS THERAPEUTICS, INC. (US) 2024-12-05 US disclosed
US-12102626-B2 (Pyridin-2-yl)amine derivatives as TGF-BETA R1 (ALK5) inhibitors for the treatment of cancer NEXYS THERAPEUTICS, INC. (US) 2024-10-01 US disclosed
CN-118496417-A Defluorinated resin and preparation method thereof 比亚迪股份有限公司 2024-08-16 CN disclosed
EP-3902796-B1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER NEXYS THERAPEUTICS INC (US) 2024-02-07 EP disclosed
WO-2023143393-A1 TRICYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海科技大学 2023-08-03 WO disclosed
CN-116514824-A Tri-ring compound, preparation method and application thereof 上海科技大学 2023-08-01 CN disclosed
EP-3562823-B1 FUNCTIONALIZED NANOLUC INHIBITORS PROMEGA CORP (US) 2023-02-08 EP disclosed
CN-113549070-B Preparation method of malavisuo and derivatives thereof 中国科学院福建物质结构研究所 2022-12-06 CN disclosed
US-20220054465-A1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER NEXYS THERAPEUTICS, INC. (US) 2022-02-24 US disclosed
US-20220054465-A1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER NEXYS THERAPEUTICS, INC. (US) 2022-02-24 US disclosed
EP-1443934-A1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2004-08-11 EP disclosed
WO-2004060306-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2004-07-22 WO disclosed
WO-2004061084-A2 MODULATION OF PROTEIN FUNCTIONALITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2004-07-22 WO disclosed
WO-2003041714-A1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2003-05-22 WO disclosed
CN-1414951-A Drug discharge pump inhibitor FUNDAMENTAL THERAPEUTICAL INC (US) 2003-04-30 CN disclosed
EP-1227084-A1 DRUG DISCHARGE PUMP INHIBITORS Microcide Pharmaceuticals, Inc. (US) 2002-07-31 EP disclosed
US-5922763-A ANTICOAGULANT; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
US-5736559-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS KARL THOMAE GMBH (DE) 1998-04-07 US disclosed
US-5597825-A AGGREGATION INHIBITORS DR. KARL THOMAE GMBH (DE) 1997-01-28 US disclosed
EP-0574808-A1 Amidine-biphenyl derivatives, process for their production & medical preparation containing them Dr. Karl Thomae GmbH (DE) 1993-12-22 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 (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-12102626-B2 (Pyridin-2-yl)amine derivatives as TGF-BETA R1 (ALK5) inhibitors for the treatment of cancer TGFBR1, TGFBR2, ACVR1 SIRT2 3082/4885MAOA 1923/4885MAOB 1587/4885
US-20240398776-A1 INHIBITORS OF TGF-BETA R1 (ALK5) USEFUL TO TREAT CELL PROLIFERATION DISORDERS ACVR1, TGFBR1, ACVRL1 SIRT2 3920/4885MAOA 3697/4885MAOB 3635/4885
US-20220054465-A1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER TGFBR1, TGFBR2, ACVR1 SIRT2 3082/4885MAOA 1923/4885MAOB 1587/4885

“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.