SCHEMBL4550705

SCHEMBL4550705

CC(=O)NC1CCCN(c2nc(-c3ccccc3)nc3[nH]c(C)c(C)c23)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 7/20 0.48
▸ ADORA2A P29274 6/20 0.48
▸ BTK Q06187 5/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PPARD Q03181 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ SMPD3 Q9NY59 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ DYRK3 O43781 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ SRPK1 Q96SB4 1/20 0.41
▸ CSNK1G1 Q9HCP0 1/20 0.41
▸ KIF11 P52732 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ CDC42BPB Q9Y5S2 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
SCHEMBL14590947 1.00 ADORA1 (0.48) ADORA1ADORA2ABTKALDH1A1TSHR
SCHEMBL14590949 1.00 ADORA1 (0.48) ADORA1ADORA2ABTKALDH1A1TSHR
SCHEMBL4550706 0.88 ADORA1 (0.51) ADORA1ADORA2AALDH1A1TSHRSMPD3
SCHEMBL14591091 0.84 ADORA1 (0.46) ADORA1ADORA2AALDH1A1TSHR
SCHEMBL15426758 0.76 ADORA1 (0.77) ADORA1ADORA2ABTK
SCHEMBL17628114 0.69 PRKDC (0.51) BTKSMPD3KIF11
SCHEMBL17628115 0.69 PRKDC (0.51) BTKSMPD3KIF11
SCHEMBL17628281 0.69 OPRM1 (0.44) BTKPPARDPPARASMPD3IRAK4
SCHEMBL17628278 0.69 OPRM1 (0.44) BTKPPARDPPARASMPD3IRAK4
SCHEMBL21664227 0.66 MAPT (0.58) TSHR

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 38 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
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
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
US-7504407-B2 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-03-17 — — US disclosed
US-20030065097-A1 High melt strength polymers and method of making same THE DOW CHEMICAL COMPANY 2003-04-03 — — 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 (8 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 ADORA1 2/4885ADORA2A 3/4885BTK 3980/4885
US-20020058667-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885BTK 3317/4885
US-20030045536-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885BTK 3317/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885BTK 1311/4885
US-20050043332-A1 Pyrrolo[2,3d]pyrimidine compositions and their use TYMP, UMPS, ADORA3 ADORA1 38/4885ADORA2A 7/4885BTK 3226/4885
US-20020028782-A1 Pyrrolo [2, 3d] pyrimidine compositions and their use TYMP, UMPS, ADORA3 ADORA1 38/4885ADORA2A 7/4885BTK 3226/4885
US-20030036545-A1 Compounds specific to adenosine A2a receptor and uses thereof ADORA2A, ADORA2B, ADORA3 ADORA1 4/4885ADORA2A 1/4885BTK 2730/4885
US-20020094974-A1 Compounds specific to adenosine A3 receptor and uses thereof ADORA3, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885BTK 3057/4885

“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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