SCHEMBL8353295

SCHEMBL8353295

CC(=O)NC(CNc1nc(-c2ccccc2)nc2[nH]c(C)c(C)c12)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 9/20 0.66
▸ ADORA2A P29274 8/20 0.66
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TSHR P16473 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ACP1 P24666 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL4254596 0.90 ADORA1 (0.69) ADORA1ADORA2ANPSR1TSHRKDM4E
SCHEMBL4252491 0.90 ADORA1 (0.69) ADORA1ADORA2ANPSR1TSHRKDM4E
SCHEMBL4252493 0.90 ADORA1 (0.69) ADORA1ADORA2ANPSR1TSHRKDM4E
SCHEMBL4551560 0.86 ADORA1 (0.66) ADORA1ADORA2ANPSR1TSHRKDM4E
SCHEMBL4256954 0.81 ADORA1 (0.56) ADORA1ADORA2ATSHRACP1
SCHEMBL4253074 0.80 ADORA1 (1.00) ADORA1ADORA2ATSHRKDM4EALDH1A1
SCHEMBL4257482 0.79 ADORA1 (0.69) ADORA1ADORA2ANPSR1TSHRKDM4E
SCHEMBL4256788 0.79 ADORA1 (0.69) ADORA1ADORA2ANPSR1TSHRKDM4E
SCHEMBL4251365 0.79 ADORA1 (0.69) ADORA1ADORA2ANPSR1TSHRKDM4E
SCHEMBL4253759 0.78 ADORA1 (0.88) ADORA1ADORA2ATSHRKDM4EALDH1A1

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 3/4885NPSR1 104/4885

“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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