SCHEMBL8357607

SCHEMBL8357607

CCNC(=O)NCCCNc1nc(-c2ccccc2)nc2[nH]c(C)c(C)c12

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 9/20 0.69
▸ ADORA2A P29274 8/20 0.69
▸ PDE5A O76074 3/20 0.43
▸ ACP1 P24666 1/20 0.41
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GBA1 P04062 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SIRT5 Q9NXA8 1/20 0.37

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
SCHEMBL8357568 0.91 ADORA1 (0.70) ADORA1ADORA2APDE5AACP1ADORA3
SCHEMBL4251897 0.89 ADORA1 (0.70) ADORA1ADORA2APDE5AACP1MTNR1A
SCHEMBL8357988 0.89 ADORA1 (0.70) ADORA1ADORA2APDE5AACP1ADORA3
SCHEMBL4253759 0.89 ADORA1 (0.88) ADORA1ADORA2APDE5AADORA3KDM4E
SCHEMBL8358180 0.86 ADORA1 (0.88) ADORA1ADORA2APDE5AADORA3KDM4E
SCHEMBL8357570 0.86 ADORA1 (0.69) ADORA1ADORA2APDE5AADORA3
SCHEMBL4259710 0.82 ADORA1 (0.70) ADORA1ADORA2APDE5AACP1MEN1
SCHEMBL4259473 0.82 ADORA1 (0.80) ADORA1ADORA2APDE5AADORA3KDM4E
SCHEMBL4253074 0.82 ADORA1 (1.00) ADORA1ADORA2AADORA3KDM4EALDH1A1
SCHEMBL4253955 0.82 ADORA1 (0.69) ADORA1ADORA2APDE5AACP1MEN1

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 7 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
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 3/4885PDE5A 877/4885

“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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