SCHEMBL4257021

SCHEMBL4257021

OC1CCC(Nc2nc(-c3cccc(Cl)c3)nc3[nH]ccc23)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 4/20 0.75
▸ ADORA2A P29274 2/20 0.75
▸ ADORA3 P0DMS8 1/20 0.75
▸ ADORA2B P29275 1/20 0.75
▸ PAK4 O96013 4/20 0.55
▸ SGK1 O00141 2/20 0.46
▸ PIM1 P11309 2/20 0.45
▸ PIM2 Q9P1W9 1/20 0.45
▸ MAP4K4 O95819 2/20 0.45
▸ KCNH2 Q12809 1/20 0.44
▸ ACP1 P24666 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 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
SCHEMBL4257018 1.00 ADORA1 (0.75) ADORA1ADORA2AADORA3ADORA2BPAK4
SCHEMBL4422702 0.88 ADORA1 (0.77) ADORA1ADORA2AADORA3ADORA2BPAK4
SCHEMBL4422705 0.88 ADORA1 (0.77) ADORA1ADORA2AADORA3ADORA2BPAK4
SCHEMBL14274434 0.87 ADORA1 (0.56) ADORA1ADORA2AADORA3ADORA2BPAK4
SCHEMBL13649809 0.87 ADORA1 (0.75) ADORA1ADORA2AADORA3ADORA2BPAK4
SCHEMBL4260180 0.87 ADORA1 (0.75) ADORA1ADORA2AADORA3ADORA2BPAK4
SCHEMBL4260177 0.87 ADORA1 (0.75) ADORA1ADORA2AADORA3ADORA2BPAK4
Derenofylline SCHEMBL24117119 0.86 ADORA1 (1.00) ADORA1ADORA2AADORA3ADORA2BPAK4
Derenofylline SCHEMBL2832387 0.86 ADORA1 (1.00) ADORA1ADORA2AADORA3ADORA2BPAK4
Derenofylline SCHEMBL2832386 0.86 ADORA1 (1.00) ADORA1ADORA2AADORA3ADORA2BPAK4

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-20050043332-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2005-02-24 — — US claimed
US-20020028782-A1 Pyrrolo [2, 3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2002-03-07 — — US claimed
EP-1082120-A1 PYRROLO[2,3d]PYRIMIDINE COMPOSITIONS AND THEIR USE OSI Pharmaceuticals, Inc. (US) 2001-03-14 — — EP claimed
WO-1999062518-A1 PYRROLO[2,3d]PYRIMIDINE COMPOSITIONS AND THEIR USE OSI PHARMACEUTICALS, INC. (US) 1999-12-09 — — WO claimed
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-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-6800633-B2 CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS OSI PHARMACEUTICALS, INC. 2004-10-05 — — US disclosed
US-20040082598-A1 Compounds specific to adenosine A, receptors and uses thereof OSI PHARMACEUTICALS, INC. 2004-04-29 — — US disclosed
US-20040082599-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2004-04-29 — — 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 (11 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 2/4885ADORA3 1/4885
US-20040082598-A1 Compounds specific to adenosine A, receptors and uses thereof ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA2A 1/4885ADORA3 3/4885
US-20020058667-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885ADORA3 3/4885
US-20030045536-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885ADORA3 3/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885ADORA3 1/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885ADORA3 3/4885
US-20050043332-A1 Pyrrolo[2,3d]pyrimidine compositions and their use TYMP, UMPS, ADORA3 ADORA1 38/4885ADORA2A 7/4885ADORA3 3/4885
US-20020028782-A1 Pyrrolo [2, 3d] pyrimidine compositions and their use TYMP, UMPS, ADORA3 ADORA1 38/4885ADORA2A 7/4885ADORA3 3/4885
US-20030036545-A1 Compounds specific to adenosine A2a receptor and uses thereof ADORA2A, ADORA2B, ADORA3 ADORA1 4/4885ADORA2A 1/4885ADORA3 3/4885
US-20040082599-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885ADORA3 3/4885
US-20020094974-A1 Compounds specific to adenosine A3 receptor and uses thereof ADORA3, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885ADORA3 1/4885

“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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