SCHEMBL21882955

SCHEMBL21882955

CC1(C)O[C@@H]2[C@H](O1)C(CO)O[C@H]2n1ccc2c(Cl)nc(Cl)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
LMNA P02545 6/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.41
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
THPO P40225 1/20 0.35
HIF1A Q16665 1/20 0.35
MTOR P42345 1/20 0.35
ADORA2A P29274 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 1/20 0.35
PMP22 Q01453 1/20 0.35
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 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
SCHEMBL18572205 1.00 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL31526369 0.90 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL18572577 0.90 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL25352432 0.89 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL18571690 0.89 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL30536344 0.89 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL1799337 0.85 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL21089761 0.85 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL31526214 0.84 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL22614471 0.83 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591355-B2 CD73 inhibitors and uses thereof PELOTON THERAPEUTICS INC. (US) 2023-02-28 US disclosed
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF PELOTON THERAPEUTICS, INC. (US) 2021-10-14 US disclosed
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 (3 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 PI4KA 2028/4885PI4K2B 2692/4885PI4K2A 2552/4885
US-11591355-B2 CD73 inhibitors and uses thereof ENTPD5, ENTPD1, ENTPD3 PI4KA 2940/4885PI4K2B 3119/4885PI4K2A 3310/4885
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E PI4KA 2028/4885PI4K2B 2692/4885PI4K2A 2552/4885

“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.