SCHEMBL4253286

SCHEMBL4253286

CC(=O)OCCNc1nc(-c2ccccc2)nc2[nH]c(C)c(C)c12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 9/20 0.73
▸ ADORA2A P29274 8/20 0.73
▸ KDM4E B2RXH2 5/20 0.62
▸ RECQL P46063 2/20 0.62
▸ ALDH1A1 P00352 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ GBA1 P04062 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 2/20 0.45
▸ PKM P14618 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ TSHR P16473 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ PDE5A O76074 1/20 0.43
▸ NPC1 O15118 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL4253074 0.84 ADORA1 (1.00) ADORA1ADORA2AKDM4ERECQLALDH1A1
SCHEMBL4261130 0.84 ADORA1 (0.76) ADORA1ADORA2AKDM4ERECQLALDH1A1
SCHEMBL4259626 0.83 ADORA1 (0.73) ADORA1ADORA2AALDH1A1MAPTLMNA
SCHEMBL4259479 0.83 ADORA1 (0.77) ADORA1ADORA2AKDM4ERECQLALDH1A1
SCHEMBL8358180 0.83 ADORA1 (0.88) ADORA1ADORA2AKDM4ERECQLALDH1A1
SCHEMBL4253759 0.83 ADORA1 (0.88) ADORA1ADORA2AKDM4ERECQLALDH1A1
SCHEMBL4258069 0.82 ADORA1 (0.72) ADORA1ADORA2APDE5A
SCHEMBL4252331 0.81 ADORA1 (0.71) ADORA1ADORA2A
SCHEMBL4259710 0.81 ADORA1 (0.70) ADORA1ADORA2AALDH1A1MEN1MAPT
SCHEMBL4259473 0.80 ADORA1 (0.80) ADORA1ADORA2AKDM4ERECQLALDH1A1

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 18 patents. 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
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-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-6686366-B1 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. 2004-02-03 — — 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-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-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 (10 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 2/4885KDM4E 4153/4885
US-20040082598-A1 Compounds specific to adenosine A, receptors and uses thereof ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA2A 1/4885KDM4E 4017/4885
US-20020058667-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885KDM4E 4358/4885
US-20030045536-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885KDM4E 4358/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885KDM4E 2675/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885KDM4E 4390/4885
US-20050043332-A1 Pyrrolo[2,3d]pyrimidine compositions and their use TYMP, UMPS, ADORA3 ADORA1 38/4885ADORA2A 7/4885KDM4E 2499/4885
US-20020028782-A1 Pyrrolo [2, 3d] pyrimidine compositions and their use TYMP, UMPS, ADORA3 ADORA1 38/4885ADORA2A 7/4885KDM4E 2499/4885
US-20040082599-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885KDM4E 4358/4885
US-20020094974-A1 Compounds specific to adenosine A3 receptor and uses thereof ADORA3, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885KDM4E 4153/4885

“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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