SCHEMBL9609561

SCHEMBL9609561

Cc1cnc(C(C)(C)C)s1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.46
SLC6A3 Q01959 1/20 0.36
RAB9A P51151 2/20 0.33
KDR P35968 1/20 0.32
FDPS P14324 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
CNR2 P34972 1/20 0.30

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
SCHEMBL14151845 0.83 NOS1 (0.50) NOS1RAB9AKDRFDPSSMN1; SMN2
SCHEMBL126808 0.81 NOS1 (0.43) NOS1RAB9AKDRFDPSSMN1; SMN2
SCHEMBL128024 0.78 NOS1 (0.44) NOS1RAB9AKDRFDPSSMN1; SMN2
SCHEMBL18760851 0.77 SLC6A3 (0.40) SLC6A3
SCHEMBL21843811 0.76 NOS1 (0.39) NOS1RAB9AKDRFDPSSMN1; SMN2
SCHEMBL132261 0.74 RAB9A (0.38) NOS1RAB9AFDPSSMN1; SMN2MEN1
SCHEMBL3697537 0.73 SLC6A3 (0.35) SLC6A3KDRSMN1; SMN2
SCHEMBL22426826 0.73 SLC6A3 (0.35) SLC6A3RAB9A
SCHEMBL16814199 0.73 SLC6A3 (0.35) SLC6A3
SCHEMBL15307554 0.73 SLC6A3 (0.35) SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239828-A1 MANNOSE 6-PHOSPHATE OR ASGPR RECEPTOR BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2024-07-18 US disclosed
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2024-07-02 US disclosed
US-20240072809-A1 ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2024-02-29 US disclosed
US-20240025849-A1 INHIBITORS OF NO PRODUCTION CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2024-01-25 US disclosed
US-20240025849-A1 INHIBITORS OF NO PRODUCTION CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2024-01-25 US disclosed
US-20230373963-A1 3-[(1H-PYRAZOL-R-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF BEIGENE, LTD. (KY) 2023-11-23 US disclosed
US-20230373963-A1 3-[(1H-PYRAZOL-R-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF BEIGENE, LTD. (KY) 2023-11-23 US disclosed
US-11819551-B2 ASGPR-binding compounds for the degradation of extracellular proteins AVILAR THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2023-11-16 US disclosed
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2023-11-16 US disclosed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 US disclosed
US-20070203186-A1 Pyrazole Amide Derivatives, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. (US) 2007-08-30 US disclosed
US-20070197699-A1 Novel substituted-polyaryl chromophoric compounds TRANSPHOTONICS, LLC (US) 2007-08-23 US disclosed
US-20070191376-A1 Bicyclic heteroaryl compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2007-08-16 US disclosed
US-20070043053-A1 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-02-22 US disclosed
US-20070043053-A1 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-02-22 US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 US disclosed
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2007-02-01 US disclosed
US-7160883-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS-SQUIBB COMPANY (US) 2007-01-09 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 (12 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-11819551-B2 ASGPR-binding compounds for the degradation of extracellular proteins ASGR1, ENGASE, FCGR2A NOS1 4587/4885SLC6A3 3758/4885RAB9A 2323/4885
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof DDT, CYP3A5, CYP4B1 NOS1 3506/4885SLC6A3 1699/4885RAB9A 1650/4885
US-20230373963-A1 3-[(1H-PYRAZOL-R-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF HIPK1, HIPK3, HIPK2 NOS1 1814/4885SLC6A3 3229/4885RAB9A 1460/4885
US-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 NOS1 4382/4885SLC6A3 1496/4885RAB9A 1209/4885
US-20070043053-A1 Pyrrolo-triazine aniline compounds useful as kinase inhibitors PLK2, CDK2, MAP3K15 NOS1 1216/4885SLC6A3 2514/4885RAB9A 2376/4885
US-20240025849-A1 INHIBITORS OF NO PRODUCTION NOS2, NOS1, NOS3 NOS1 2/4885SLC6A3 1503/4885RAB9A 2105/4885
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 NOS1 1052/4885SLC6A3 1247/4885RAB9A 1335/4885
US-20070203186-A1 Pyrazole Amide Derivatives, Compositions Containing Such Compounds And Methods Of Use AADAC, GOT2, GLS2 NOS1 2620/4885SLC6A3 3357/4885RAB9A 2745/4885
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC NOS1 4440/4885SLC6A3 4867/4885RAB9A 2011/4885
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 NOS1 2013/4885SLC6A3 3454/4885RAB9A 1268/4885
US-20240239828-A1 MANNOSE 6-PHOSPHATE OR ASGPR RECEPTOR BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS M6PR, ASGR1, IGF2R NOS1 4338/4885SLC6A3 3130/4885RAB9A 1579/4885
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 NOS1 4311/4885SLC6A3 4541/4885RAB9A 3846/4885

“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.