SCHEMBL3896421

SCHEMBL3896421

Cc1cc2c(=O)[nH]c(-c3ccccc3)nc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 5/20 0.57
▸ TNKS2 Q9H2K2 5/20 0.57
▸ PARP1 P09874 4/20 0.57
▸ POLB P06746 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ GAA P10253 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ PARP2 Q9UGN5 1/20 0.49
▸ KDM4C Q9H3R0 1/20 0.49
▸ ADORA2B P29275 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HPGD P15428 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ APOBEC3G Q9HC16 1/20 0.48
▸ MEN1 O00255 2/20 0.47

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
SCHEMBL11826929 0.75 TNKS (0.70) TNKSTNKS2PARP1POLBRAB9A
SCHEMBL2617083 0.75 TNKS (0.77) TNKSTNKS2PARP1RAB9ANPC1
SCHEMBL28008970 0.74 TNKS (0.73) TNKSTNKS2PARP1RAB9ANPC1
SCHEMBL4704380 0.73 SGK1 (0.59) TNKSTNKS2PARP1POLBRAB9A
SCHEMBL258433 0.73 TNKS (1.00) TNKSTNKS2PARP1RAB9ANPC1
SCHEMBL29592833 0.73 TNKS (1.00) TNKSTNKS2PARP1RAB9ANPC1
SCHEMBL16766185 0.73 ALDH1A1 (0.72) TNKSTNKS2PARP1POLBRAB9A
SCHEMBL15775476 0.72 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL3900420 0.72 POLB (0.58) TNKSTNKS2PARP1POLBGAA
Hydrochloric Acid SCHEMBL31529601 0.71 TNKS (0.96) TNKSTNKS2PARP1RAB9ANPC1

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 29 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-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
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 TNKS 961/4885TNKS2 1061/4885PARP1 318/4885
US-20030073708-A1 Compounds specific to adenosine A3 receptor and uses thereof ADORA3, ADORA2A, ADORA1 TNKS 1683/4885TNKS2 1623/4885PARP1 1034/4885
US-20020058667-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 TNKS 1280/4885TNKS2 1808/4885PARP1 746/4885
US-20030045536-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 TNKS 1280/4885TNKS2 1808/4885PARP1 746/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 TNKS 417/4885TNKS2 563/4885PARP1 151/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 TNKS 1435/4885TNKS2 1914/4885PARP1 855/4885
US-20020028782-A1 Pyrrolo [2, 3d] pyrimidine compositions and their use TYMP, UMPS, ADORA3 TNKS 165/4885TNKS2 213/4885PARP1 193/4885
US-20030036545-A1 Compounds specific to adenosine A2a receptor and uses thereof ADORA2A, ADORA2B, ADORA3 TNKS 1721/4885TNKS2 775/4885PARP1 1140/4885
US-20020094974-A1 Compounds specific to adenosine A3 receptor and uses thereof ADORA3, ADORA2A, ADORA1 TNKS 1683/4885TNKS2 1623/4885PARP1 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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