SCHEMBL21882856

SCHEMBL21882856

C[C@@H](Nc1cc(Cl)nc2c1ccn2[C@@H]1OC(CO)[C@H]2OC(C)(C)O[C@H]21)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
NT5E P21589 7/20 0.38
TMEM97 Q5BJF2 2/20 0.36
OPRK1 P41145 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR2B P41595 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
IDH1 O75874 1/20 0.35
KCNN3 Q9UGI6 1/20 0.34

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
SCHEMBL21839818 1.00 ADORA2A (0.42) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL21839816 1.00 ADORA2A (0.42) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL21839808 0.87 NT5E (0.37) ADORA2AADORA2BNT5EIDH1
SCHEMBL21839807 0.87 NT5E (0.37) ADORA2AADORA2BNT5EIDH1
SCHEMBL23915598 0.86 NT5E (0.48) NT5ETMEM97OPRK1SIGMAR1HTR2B
SCHEMBL21882964 0.86 NT5E (0.48) NT5ETMEM97OPRK1SIGMAR1HTR2B
SCHEMBL21839619 0.86 NT5E (0.48) NT5ETMEM97OPRK1SIGMAR1HTR2B
SCHEMBL21882842 0.86 NT5E (0.48) NT5ETMEM97OPRK1SIGMAR1HTR2B
SCHEMBL21839617 0.86 NT5E (0.48) NT5ETMEM97OPRK1SIGMAR1HTR2B
SCHEMBL21839740 0.86 NT5E (0.50) NT5E

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-20200115404-A1 CD73 INHIBITORS AND USES THEREOF PELOTON THERAPEUTICS INC. 2020-04-16 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-20200115404-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E ADORA2A 11/4885ADORA2B 51/4885PI4KA 2028/4885

“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.