Sugi Predict

Sugi Predict / Compounds / SCHEMBL1028503

SCHEMBL1028503

SCHEMBL1028503

Nc1ccc(N2CCOCC2=O)cc1F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 7/20 0.48
▸ PTGS2 P35354 7/20 0.44
▸ PIK3CD O00329 3/20 0.43
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ PIK3CA P42336 2/20 0.40
▸ PIK3CG P48736 2/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ MAP4K1 Q92918 1/20 0.40
▸ LGMN Q99538 1/20 0.40

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
SCHEMBL31347248 1.00 F10 (0.48) F10PTGS2PIK3CDJAK2JAK1
SCHEMBL24195918 0.88 F10 (0.48) F10PTGS2PIK3CDJAK2JAK1
SCHEMBL991941 0.86 F10 (0.51) F10PTGS2PIK3CDPIK3CAPIK3CG
SCHEMBL8262171 0.84 F10 (0.45) F10PTGS2PIK3CDJAK2JAK1
SCHEMBL8305482 0.84 F10 (0.47) F10PTGS2PIK3CDMAP4K1
SCHEMBL3564377 0.82 JAK2 (0.46) F10PTGS2JAK2JAK1TYK2
SCHEMBL2996200 0.82 PTGS2 (0.50) F10PTGS2PIK3CDPIK3CAPIK3CG
SCHEMBL19178457 0.82 F10 (0.51) F10PTGS2PIK3CDPIK3CAPIK3CG
SCHEMBL5624892 0.81 F10 (0.45) F10PTGS2PIK3CDPIK3CAPIK3CG
SCHEMBL13678787 0.80 F10 (0.43) F10PTGS2PIK3CDMAP4K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718679-B2 Heteroaryl carboxamides HOFFMAN-LA ROCHE INC. (US) 2010-05-18 — — US claimed
EP-2076511-A1 NOVEL HETEROARYL CARBOXAMIDES F. Hoffmann-Roche AG (CH) 2009-07-08 — — EP claimed
WO-2008049747-A1 NOVEL HETEROARYL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-02 — — WO claimed
US-20080103143-A1 NOVEL HETEROARYL CARBOXAMIDES HOFFMANN-LA ROCHE INC. 2008-05-01 — — US claimed
WO-2025021189-A1 OXYGEN-CONTAINING FUSED TRICYCLIC DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海拓界生物医药科技有限公司 2025-01-30 — — WO disclosed
WO-2022011274-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2022-01-13 — — WO disclosed
WO-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 — — WO disclosed
US-20120122854-A1 Carbocyclic Fused Cyclic Amines BOEHRINGER MARKUS (CH) 2012-05-17 — — US disclosed
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS Bayers Schering Pharma Aktiengesellschaft (DE) 2011-07-14 — — US disclosed
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS Bayers Schering Pharma Aktiengesellschaft (DE) 2011-07-14 — — US disclosed
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS Bayers Schering Pharma Aktiengesellschaft (DE) 2011-07-14 — — US disclosed
EP-1814855-B1 DICARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-19 — — EP disclosed
US-20060142362-A1 Pyrazoles, triazoles, or tetrazoles substituted with an aryl- or heteroarylcarbonylamino group and an aminocarbonylmethyl group: 5-chloro-thiophene-2-carboxylic acid (1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-1H-[1,2,4]triazol-3-yl)-amide; improved selectivity towards thrombin F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 — — US disclosed
WO-2006066778-A2 NOVEL HETEROARYLACETAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 — — WO disclosed
WO-2006061116-A1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-06-15 — — WO disclosed
US-20060106016-A1 Dicarboxamide derivatives HOFFMANN-LA ROCHE INC. 2006-05-18 — — US disclosed
WO-2006048152-A2 DICARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-11 — — WO disclosed
WO-2005097783-A1 THIOCARBAMOYLPROLINES MERCK PATENT GMBH (DE) 2005-10-20 — — WO disclosed
WO-2005097783-A1 THIOCARBAMOYLPROLINES MERCK PATENT GMBH (DE) 2005-10-20 — — WO disclosed
WO-2005095440-A1 BETA-AMINOACID-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-10-13 — — 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-20060106016-A1 Dicarboxamide derivatives F2, F12, TFPI F10 8/4885PTGS2 1849/4885PIK3CD 2708/4885
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS AADAC, AADAT, AASDHPPT F10 126/4885PTGS2 569/4885PIK3CD 683/4885
US-20060142362-A1 Pyrazoles, triazoles, or tetrazoles substituted with an aryl- or heteroarylcarbonylamino group and an aminocarbonylmethyl group: 5-chloro-thiophene-2-carboxylic acid (1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-1H-[1,2,4]triazol-3-yl)-amide; improved selectivity towards thrombin F2, TFPI, F11 F10 24/4885PTGS2 1521/4885PIK3CD 3396/4885
US-20120122854-A1 Carbocyclic Fused Cyclic Amines F12, F11, F2 F10 5/4885PTGS2 2493/4885PIK3CD 3438/4885
US-20080103143-A1 NOVEL HETEROARYL CARBOXAMIDES F12, F11, F2 F10 4/4885PTGS2 2167/4885PIK3CD 3599/4885

“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.