SCHEMBL8357570

SCHEMBL8357570

Cc1[nH]c2nc(-c3ccccc3)nc(NCCCNC(=O)CN)c2c1C

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 9/20 0.69
▸ ADORA2A P29274 8/20 0.69
▸ ADORA3 P0DMS8 1/20 0.42
▸ PDE5A O76074 1/20 0.41
▸ PRKCI P41743 2/20 0.40

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
SCHEMBL4251897 0.91 ADORA1 (0.70) ADORA1ADORA2AADORA3PDE5A
SCHEMBL4253759 0.89 ADORA1 (0.88) ADORA1ADORA2AADORA3PDE5A
SCHEMBL8357568 0.87 ADORA1 (0.70) ADORA1ADORA2AADORA3PDE5APRKCI
SCHEMBL8358180 0.86 ADORA1 (0.88) ADORA1ADORA2AADORA3PDE5A
SCHEMBL8357607 0.86 ADORA1 (0.69) ADORA1ADORA2AADORA3PDE5A
SCHEMBL4250469 0.85 ADORA1 (0.70) ADORA1ADORA2AADORA3PRKCI
SCHEMBL8357988 0.84 ADORA1 (0.70) ADORA1ADORA2AADORA3PDE5APRKCI
SCHEMBL4259473 0.84 ADORA1 (0.80) ADORA1ADORA2AADORA3PDE5A
SCHEMBL4252331 0.83 ADORA1 (0.71) ADORA1ADORA2AADORA3PRKCI
SCHEMBL4259710 0.82 ADORA1 (0.70) ADORA1ADORA2APDE5A

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
EP-1450811-B1 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARM INC (US) 2009-10-21 — — EP 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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