SCHEMBL4156164

SCHEMBL4156164

CC1(C)O[C@@H]2[C@H](O1)[C@@H](COS(C)(=O)=O)O[C@H]2n1cnc2c(NC(=O)c3ccccc3)nc(OC3CCCC3)nc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.43
▸ ADORA2A P29274 2/20 0.40
▸ ADORA2B P29275 2/20 0.40
▸ P2RY12 Q9H244 1/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ NT5E P21589 4/20 0.38
▸ P2RX1 P51575 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ P2RX4 Q99571 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
SCHEMBL4158667 0.91 ADORA2A (0.47) ADORA2AADORA2BADORA1
SCHEMBL4159657 0.86 ADORA3 (0.39) ADORA2AADORA2BP2RY12ADORA1
SCHEMBL4153675 0.85 ADORA2A (0.39) ADORA2AADORA2BADORA1
SCHEMBL23578588 0.85 RXFP1 (0.56) RXFP1P2RY12P2RX1P2RX3P2RX4
SCHEMBL29908537 0.85 RXFP1 (0.56) RXFP1P2RY12P2RX1P2RX3P2RX4
SCHEMBL4148652 0.84 ADORA3 (0.39) ADORA2AADORA2BADORA1NT5E
SCHEMBL4161118 0.83 AXL (0.36) ADORA2AADORA2BP2RY12NT5E
SCHEMBL4161121 0.83 AXL (0.36) ADORA2AADORA2BP2RY12NT5E
SCHEMBL4161125 0.83 AXL (0.36) ADORA2AADORA2BP2RY12NT5E
SCHEMBL1795447 0.79 RXFP1 (0.58) RXFP1P2RY12P2RX1P2RX3P2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 — — US 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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 RXFP1 2979/4885ADORA2A 33/4885ADORA2B 46/4885

“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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