SCHEMBL4404082

SCHEMBL4404082

Cc1c[nH]c2nc(-c3ccccc3)[nH]c(=O)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.56
▸ TNKS O95271 3/20 0.51
▸ PARP1 P09874 3/20 0.51
▸ TNKS2 Q9H2K2 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ ADORA2B P29275 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPT P10636 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ XDH P47989 2/20 0.46
▸ ERCC1 P07992 1/20 0.45
▸ FEN1 P39748 1/20 0.45
▸ ERCC4 Q92889 1/20 0.45
▸ CHEK1 O14757 1/20 0.44
▸ ADORA2A P29274 1/20 0.43

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
SCHEMBL3900420 0.77 POLB (0.58) POLBTNKSPARP1TNKS2ALDH1A1
SCHEMBL3027816 0.75 PDE5A (0.59) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL7011689 0.72 ATAD2 (0.38) PARP1
SCHEMBL12820951 0.72 DYRK1A (0.46) —
SCHEMBL3896421 0.71 TNKS (0.57) POLBTNKSPARP1TNKS2ALDH1A1
SCHEMBL7496014 0.70 POLB (0.72) POLBTNKSPARP1TNKS2ALDH1A1
SCHEMBL15797098 0.70 TNKS (0.55) POLBTNKSPARP1TNKS2ALDH1A1
SCHEMBL22609954 0.68 CHUK (0.63) ADORA2A
SCHEMBL4258995 0.68 LMNA (0.50) POLBALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL15775476 0.68 TNKS (1.00) TNKSPARP1TNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598252-B2 Compounds specific to adenosine A, receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-10-06 — — US disclosed
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 — — US disclosed
EP-2011499-A2 Pyrrolo[2,3d]Pyrimidine compositions and their use OSI Pharmaceuticals, Inc. (US) 2009-01-07 — — EP disclosed
US-7429574-B2 4-heterocyclo-pyrrolo[2,3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. (US) 2008-09-30 — — US 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
EP-1246623-B1 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI PHARM INC (US) 2006-08-09 — — EP disclosed
US-6878716-B1 Compounds specific to adenosine A1 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2005-04-12 — — US disclosed
US-20050043332-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2005-02-24 — — US 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-20030073708-A1 Compounds specific to adenosine A3 receptor and uses thereof ADORA3, ADORA2A, ADORA1 POLB 2837/4885TNKS 1683/4885PARP1 1034/4885
US-20020058667-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 POLB 3001/4885TNKS 1280/4885PARP1 746/4885
US-20030045536-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 POLB 3001/4885TNKS 1280/4885PARP1 746/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 POLB 180/4885TNKS 417/4885PARP1 151/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 POLB 2897/4885TNKS 1435/4885PARP1 855/4885
US-20050043332-A1 Pyrrolo[2,3d]pyrimidine compositions and their use TYMP, UMPS, ADORA3 POLB 214/4885TNKS 165/4885PARP1 193/4885
US-20020028782-A1 Pyrrolo [2, 3d] pyrimidine compositions and their use TYMP, UMPS, ADORA3 POLB 214/4885TNKS 165/4885PARP1 193/4885
US-20030036545-A1 Compounds specific to adenosine A2a receptor and uses thereof ADORA2A, ADORA2B, ADORA3 POLB 3247/4885TNKS 1721/4885PARP1 1140/4885
US-20020094974-A1 Compounds specific to adenosine A3 receptor and uses thereof ADORA3, ADORA2A, ADORA1 POLB 2837/4885TNKS 1683/4885PARP1 1034/4885

“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.

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