SCHEMBL4152096

SCHEMBL4152096

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)nc(OC4CCCC4)nc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ PRKAB2 O43741 1/20 0.51
▸ PRKAG1 P54619 1/20 0.51
▸ PRKAA2 P54646 1/20 0.51
▸ PRKAA1 Q13131 1/20 0.51
▸ PRKAG3 Q9UGI9 1/20 0.51
▸ PRKAG2 Q9UGJ0 1/20 0.51
▸ PRKAB1 Q9Y478 1/20 0.51
▸ PRMT6 Q96LA8 1/20 0.48
▸ ACHE P22303 4/20 0.47
▸ ADORA2A P29274 2/20 0.42
▸ ADORA2B P29275 2/20 0.42
▸ NT5E P21589 2/20 0.40
▸ P2RX3 P56373 1/20 0.39
▸ P2RX4 Q99571 1/20 0.39
▸ P2RX2 Q9UBL9 1/20 0.39

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 0.91 P2RX3 (0.46) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL8905007 0.82 PRKAB2 (0.67) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL4168665 0.81 ADORA2A (0.65) ADORA2AADORA2B
SCHEMBL4158667 0.79 ADORA2A (0.47) LMNAALDH1A1TDP1ADORA2AADORA2B
SCHEMBL4156164 0.78 RXFP1 (0.43) ADORA2AADORA2BNT5EP2RX3P2RX4
SCHEMBL5982554 0.77 PRMT6 (0.62) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL6515061 0.77 PRKAB2 (0.60) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL13046096 0.76 P2RX3 (0.50) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL13046085 0.76 P2RX3 (0.50) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL4159657 0.76 ADORA3 (0.39) 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-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 LMNA 2243/4885ALDH1A1 355/4885TP53 3813/4885

“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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