SCHEMBL3847466

SCHEMBL3847466

CC(=O)C1(N)CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.47
CTSK P43235 2/20 0.43
GAA P10253 2/20 0.42
EPHX1 P07099 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
EPHX2 P34913 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HSD11B1 P28845 3/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD2 P14416 2/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
KCNA3 P22001 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
SCHEMBL1137056 0.88 BTK (0.50) BTKCTSKGAAEPHX1KDM1A
SCHEMBL27658627 0.86 BTK (0.46) BTKCTSKGAAEPHX1KDM1A
SCHEMBL14751434 0.84 BTK (0.49) BTKCTSKGAAEPHX1KDM1A
Hydrochloric Acid SCHEMBL14737203 0.83 BTK (0.48) BTKCTSKGAAEPHX1KDM1A
SCHEMBL13035982 0.80 BTK (0.51) BTKCTSKGAAEPHX1KDM1A
SCHEMBL18929028 0.80 BTK (0.51) BTKCTSKGAAEPHX1KDM1A
SCHEMBL30772656 0.80 BTK (0.46) BTKCTSKGAAEPHX1KDM1A
SCHEMBL31532140 0.80 BTK (0.46) BTKCTSKGAAEPHX1KDM1A
SCHEMBL12528056 0.79 BTK (0.48) BTKCTSKGAAEPHX1KDM1A
SCHEMBL509300 0.79 BTK (0.48) BTKCTSKGAAEPHX1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1450811-B1 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARM INC (US) 2009-10-21 EP disclosed
US-7598252-B2 Compounds specific to adenosine A, receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-10-06 US disclosed
US-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors OSI PHARMACEUTICALS, INC. 2009-07-30 US disclosed
EP-2050751-A1 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 US disclosed
US-7504407-B2 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
EP-2011499-A2 Pyrrolo[2,3d]Pyrimidine compositions and their use OSI Pharmaceuticals, Inc. (US) 2009-01-07 EP disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
EP-1731520-A1 Pyrrolo[2,3-d]pyrimidine derivatives which are antagonists of adenosine A1, A2A, and A3 OSI Pharmaceuticals, Inc. (US) 2006-12-13 EP disclosed
US-6680322-B2 FOR THERAPY OF ASTHMA, ALLERGIC RHINITIS, RESPIRATORY SYSTEM DISORDERS OSI PHARMACEUTICALS, INC. 2004-01-20 US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 US disclosed
US-6673802-B2 CARDIOVASCULAR DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS OSI PHARMACEUTICALS, INC. 2004-01-06 US disclosed
US-6664252-B2 (6-aryl-pyrrolo(2,3-d)pyrimidin-4-yl)amine derivatives; treating Parkinson's disease and diseases associated with locomotor activity, vasodilation, platelet inhibition, neutrophil superoxide generation, cognitive disorders, etc. OSI PHARMACEUTICALS, INC. 2003-12-16 US disclosed
US-20030073708-A1 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. 2003-04-17 US disclosed
US-20030045536-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2003-03-06 US disclosed
US-20030036545-A1 Compounds specific to adenosine A2a receptor and uses thereof OSI PHARMACEUTICALS, INC. 2003-02-20 US disclosed
US-20020094974-A1 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. 2002-07-18 US disclosed
US-20020058667-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2002-05-16 US disclosed
US-20020028782-A1 Pyrrolo [2, 3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2002-03-07 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 (9 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-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors ADORA3, ADORA1, ADORA2A BTK 3980/4885CTSK 3258/4885GAA 446/4885
US-20030073708-A1 Compounds specific to adenosine A3 receptor and uses thereof ADORA3, ADORA2A, ADORA1 BTK 3057/4885CTSK 1547/4885GAA 356/4885
US-20020058667-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 BTK 3317/4885CTSK 1951/4885GAA 519/4885
US-20030045536-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 BTK 3317/4885CTSK 1951/4885GAA 519/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 BTK 1311/4885CTSK 4001/4885GAA 2652/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 BTK 3462/4885CTSK 1881/4885GAA 346/4885
US-20020028782-A1 Pyrrolo [2, 3d] pyrimidine compositions and their use TYMP, UMPS, ADORA3 BTK 3226/4885CTSK 4376/4885GAA 2999/4885
US-20030036545-A1 Compounds specific to adenosine A2a receptor and uses thereof ADORA2A, ADORA2B, ADORA3 BTK 2730/4885CTSK 1297/4885GAA 630/4885
US-20020094974-A1 Compounds specific to adenosine A3 receptor and uses thereof ADORA3, ADORA2A, ADORA1 BTK 3057/4885CTSK 1547/4885GAA 356/4885

“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.