SCHEMBL4231068

SCHEMBL4231068

CC(=O)O[C@H]1[C@H](n2cnc3c(NC(=O)C(C)(C)C)nc(OC4CCCC4)nc32)O[C@H](COC(=O)c2ccccc2)[C@]1(OC(=O)c1ccccc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 9/20 0.35
▸ ADORA2B P29275 2/20 0.34
▸ AXL P30530 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ MERTK Q12866 1/20 0.33
▸ NT5E P21589 7/20 0.33
▸ LMNA P02545 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
SCHEMBL4148758 0.72 P2RX3 (0.46) ADORA2AADORA2BNT5ELMNA
SCHEMBL4152096 0.71 LMNA (0.53) ADORA2AADORA2BNT5ELMNA
SCHEMBL22915758 0.70 PRMT6 (0.47) LMNA
SCHEMBL4152505 0.70 ADORA2A (0.43) ADORA2AADORA2BAXLFLT3MERTK
SCHEMBL4152503 0.70 ADORA2A (0.43) ADORA2AADORA2BAXLFLT3MERTK
SCHEMBL4239723 0.68 ALDH1A1 (0.40) —
SCHEMBL4239726 0.68 ALDH1A1 (0.40) —
SCHEMBL18490329 0.68 TAS1R3 (0.49) NT5ELMNA
SCHEMBL24649458 0.67 PRMT6 (0.47) ADORA2AADORA2BLMNA
SCHEMBL4168665 0.67 ADORA2A (0.65) ADORA2AADORA2B

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-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-05-07 — — 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-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 ADORA2A 37/4885ADORA2B 51/4885AXL 2663/4885

“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.

Send feedback