SCHEMBL4251905

SCHEMBL4251905

Cc1[nH]c2nc(-c3ccccc3)nc(NCCCNCCC=O)c2c1C

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 9/20 0.66
▸ ADORA2A P29274 8/20 0.66
▸ ACP1 P24666 2/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ PDE5A O76074 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PRKCI P41743 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL4253393 0.84 ADORA1 (0.71) ADORA1ADORA2AACP1ADORA3PDE5A
SCHEMBL4250469 0.82 ADORA1 (0.70) ADORA1ADORA2AACP1ADORA3PRKCI
SCHEMBL4259710 0.82 ADORA1 (0.70) ADORA1ADORA2AACP1PDE5AALDH1A1
SCHEMBL4253759 0.82 ADORA1 (0.88) ADORA1ADORA2AADORA3PDE5AALDH1A1
SCHEMBL4253955 0.81 ADORA1 (0.69) ADORA1ADORA2AACP1PDE5AALDH1A1
SCHEMBL4252331 0.81 ADORA1 (0.71) ADORA1ADORA2AADORA3PRKCI
SCHEMBL4251897 0.80 ADORA1 (0.70) ADORA1ADORA2AACP1ADORA3PDE5A
SCHEMBL8357568 0.80 ADORA1 (0.70) ADORA1ADORA2AACP1ADORA3PDE5A
SCHEMBL8358180 0.80 ADORA1 (0.88) ADORA1ADORA2AADORA3PDE5AALDH1A1
SCHEMBL4259626 0.79 ADORA1 (0.73) ADORA1ADORA2AADORA3PDE5AALDH1A1

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 23 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
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-6800633-B2 CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS OSI PHARMACEUTICALS, INC. 2004-10-05 — — 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 ADORA1 3/4885ADORA2A 2/4885ACP1 2225/4885
US-20020058667-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885ACP1 1589/4885
US-20030045536-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885ACP1 1589/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885ACP1 1520/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885ACP1 1792/4885
US-20050043332-A1 Pyrrolo[2,3d]pyrimidine compositions and their use TYMP, UMPS, ADORA3 ADORA1 38/4885ADORA2A 7/4885ACP1 789/4885
US-20020028782-A1 Pyrrolo [2, 3d] pyrimidine compositions and their use TYMP, UMPS, ADORA3 ADORA1 38/4885ADORA2A 7/4885ACP1 789/4885
US-20030036545-A1 Compounds specific to adenosine A2a receptor and uses thereof ADORA2A, ADORA2B, ADORA3 ADORA1 4/4885ADORA2A 1/4885ACP1 2397/4885
US-20020094974-A1 Compounds specific to adenosine A3 receptor and uses thereof ADORA3, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885ACP1 2225/4885

“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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