SCHEMBL4550706

SCHEMBL4550706

CC(=O)NC1CCN(c2nc(-c3ccccc3)nc3[nH]c(C)c(C)c23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 7/20 0.51
▸ ADORA2A P29274 6/20 0.51
▸ CKS1B P61024 1/20 0.49
▸ SKP1 P63208 1/20 0.49
▸ SKP2 Q13309 1/20 0.49
▸ HPGD P15428 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ EGLN1 Q9GZT9 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ LRRK2 Q5S007 2/20 0.44
▸ STK4 Q13043 1/20 0.44
▸ STK3 Q13188 1/20 0.44
▸ SMPD3 Q9NY59 1/20 0.43
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41

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
SCHEMBL14590949 0.88 ADORA1 (0.48) ADORA1ADORA2AALDH1A1TSHRSMPD3
SCHEMBL14590947 0.88 ADORA1 (0.48) ADORA1ADORA2AALDH1A1TSHRSMPD3
SCHEMBL4550705 0.88 ADORA1 (0.48) ADORA1ADORA2AALDH1A1TSHRSMPD3
SCHEMBL15426758 0.81 ADORA1 (0.77) ADORA1ADORA2AHPGDSMN1; SMN2USP2
SCHEMBL14591091 0.78 ADORA1 (0.46) ADORA1ADORA2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL15425805 0.69 ADORA1 (0.70) ADORA1ADORA2A
SCHEMBL23579640 0.68 PRKCI (0.54) CKS1BSKP1SKP2HPGDSMN1; SMN2
SCHEMBL13649848 0.68 ADORA1 (0.60) ADORA1ADORA2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL19658840 0.68 DRD2 (0.65) CKS1BSKP1SKP2SMN1; SMN2USP2
SCHEMBL1458739 0.67 EGLN1 (0.58) CKS1BSKP1SKP2HPGDSMN1; SMN2

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
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-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-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
EP-1082120-A1 PYRROLO[2,3d]PYRIMIDINE COMPOSITIONS AND THEIR USE OSI Pharmaceuticals, Inc. (US) 2001-03-14 — — EP disclosed
WO-1999062518-A1 PYRROLO[2,3d]PYRIMIDINE COMPOSITIONS AND THEIR USE OSI PHARMACEUTICALS, INC. (US) 1999-12-09 — — WO 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 2/4885CKS1B 3584/4885
US-20020058667-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885CKS1B 3333/4885
US-20030045536-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885CKS1B 3333/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885CKS1B 1782/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885CKS1B 3446/4885
US-20050043332-A1 Pyrrolo[2,3d]pyrimidine compositions and their use TYMP, UMPS, ADORA3 ADORA1 38/4885ADORA2A 7/4885CKS1B 1438/4885
US-20020028782-A1 Pyrrolo [2, 3d] pyrimidine compositions and their use TYMP, UMPS, ADORA3 ADORA1 38/4885ADORA2A 7/4885CKS1B 1438/4885
US-20030036545-A1 Compounds specific to adenosine A2a receptor and uses thereof ADORA2A, ADORA2B, ADORA3 ADORA1 4/4885ADORA2A 1/4885CKS1B 3411/4885
US-20020094974-A1 Compounds specific to adenosine A3 receptor and uses thereof ADORA3, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885CKS1B 3584/4885

“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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