SCHEMBL22216348

SCHEMBL22216348

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)nc(Cl)nc43)C[C@H]2O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
HTT P42858 1/20 0.59
PDE4D Q08499 1/20 0.59
PDE3A Q14432 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
TYMP P19971 2/20 0.59
NT5E P21589 14/20 0.56
ADORA3 P0DMS8 2/20 0.47
ADORA1 P30542 1/20 0.45

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
SCHEMBL20350582 1.00 PNP (0.59) PNPLMNATP53HTTPDE4D
SCHEMBL7608943 0.91 TYMP (0.59) PNPLMNATP53HTTPDE4D
SCHEMBL7607071 0.91 TYMP (0.59) PNPLMNATP53HTTPDE4D
SCHEMBL7871248 0.88 TYMP (0.63) TYMPNT5EADORA1
SCHEMBL1774839 0.88 TYMP (0.63) TYMPNT5EADORA1
SCHEMBL29529385 0.88 TYMP (0.63) TYMPNT5EADORA1
SCHEMBL1774838 0.88 TYMP (0.63) TYMPNT5EADORA1
SCHEMBL29574745 0.88 TYMP (0.63) TYMPNT5EADORA1
SCHEMBL22216349 0.87 PNP (0.44) PNPLMNATP53HTTPDE4D
SCHEMBL24835606 0.87 NT5E (0.63) TYMPNT5EADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-06-15 US disclosed
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2020-07-16 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 (2 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-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 PNP 31/4885LMNA 2684/4885TP53 2516/4885
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 PNP 31/4885LMNA 2684/4885TP53 2516/4885

“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.