SCHEMBL8355377

SCHEMBL8355377

Cc1[nH]c2nc(-c3ccccc3)nc(NC3CCC(OC(=O)CN)C3)c2c1C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 11/20 0.62
▸ ADORA2A P29274 9/20 0.62
▸ ADORA3 P0DMS8 2/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ EGFR P00533 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ ACP1 P24666 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6889873 0.86 ADORA1 (0.56) ADORA1ADORA2A
SCHEMBL6889869 0.86 ADORA1 (0.56) ADORA1ADORA2A
SCHEMBL15425805 0.80 ADORA1 (0.70) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL4251031 0.80 ADORA1 (0.87) ADORA1ADORA2AADORA3ADORA2BEGFR
SCHEMBL4251032 0.80 ADORA1 (0.87) ADORA1ADORA2AADORA3ADORA2BEGFR
SCHEMBL4251034 0.80 ADORA1 (0.87) ADORA1ADORA2AADORA3ADORA2BEGFR
SCHEMBL4496406 0.79 ADORA1 (0.78) ADORA1ADORA2AADORA3ADORA2BEGFR
SCHEMBL15426758 0.78 ADORA1 (0.77) ADORA1ADORA2AADORA3ADORA2BACP1
SCHEMBL15425807 0.76 ADORA1 (0.81) ADORA1ADORA2AADORA3ADORA2BEGFR
SCHEMBL15426757 0.75 ADORA1 (0.74) ADORA1ADORA2AADORA3ADORA2BEGFR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 — — US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 — — US disclosed
WO-2003048120-A2 2-ARYL PYRROLOGPYRIMIDINES FOR A1 AND A3 RECEPTORS OSI PHARMACEUTICALS, INC. (US) 2003-06-12 — — 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 (1 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 3/4885ADORA3 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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