SCHEMBL4161118

SCHEMBL4161118

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ ADORA2B P29275 2/20 0.36
▸ NT5E P21589 2/20 0.33
▸ P2RY12 Q9H244 1/20 0.33

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
SCHEMBL4161125 1.00 AXL (0.36) AXLFLT3MERTKADORA2AADORA2B
SCHEMBL4161121 1.00 AXL (0.36) AXLFLT3MERTKADORA2AADORA2B
SCHEMBL4148652 0.91 ADORA3 (0.39) AXLFLT3MERTKADORA2AADORA2B
SCHEMBL4159657 0.89 ADORA3 (0.39) AXLFLT3MERTKADORA2AADORA2B
SCHEMBL4153675 0.86 ADORA2A (0.39) AXLFLT3MERTKADORA2AADORA2B
SCHEMBL4158667 0.86 ADORA2A (0.47) ADORA2AADORA2B
SCHEMBL4156164 0.83 RXFP1 (0.43) ADORA2AADORA2BNT5EP2RY12
SCHEMBL4168665 0.75 ADORA2A (0.65) ADORA2AADORA2B
SCHEMBL14388134 0.74 P2RY12 (0.45) P2RY12
SCHEMBL14113328 0.74 P2RY12 (0.45) P2RY12

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 AXL 2584/4885FLT3 516/4885MERTK 1249/4885

“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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