SCHEMBL21786778

SCHEMBL21786778

BC(C)(C)SSCO[C@@H]1C[C@H](n2cnc3c(N)ncnc32)OC1COP(=O)(O)C(C)N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
ENPP1 P22413 3/20 0.47
P2RY1 P47900 2/20 0.47
DNPH1 O43598 1/20 0.45
PRKAB2 O43741 1/20 0.45
TRPM2 O94759 1/20 0.45
LDHA P00338 1/20 0.45
ADRB2 P07550 1/20 0.45
FBP1 P09467 1/20 0.45
SRC P12931 1/20 0.45
ADORA1 P30542 1/20 0.45
P2RY2 P41231 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PDE4D Q08499 1/20 0.45
KCNH2 Q12809 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PDE3A Q14432 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TAS1R3 Q7RTX0 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
SCHEMBL21787143 0.89 P2RX3 (0.54) POLBENPP1P2RY1TRPM2SRC
SCHEMBL21787123 0.87 POLB (0.45) POLBENPP1P2RY1DNPH1PRKAB2
SCHEMBL21787146 0.86 POLB (0.52) POLBP2RY1P2RY2
SCHEMBL19662398 0.84 POLB (0.48) POLBENPP1P2RY1DNPH1PRKAB2
SCHEMBL24913398 0.84 P2RX3 (0.55) POLBENPP1P2RY1TRPM2SRC
SCHEMBL21786816 0.83 ADA (0.43) POLBENPP1P2RY1ADORA1SMN1; SMN2
SCHEMBL23734317 0.83 P2RX3 (0.56) POLBENPP1P2RY1TRPM2SRC
SCHEMBL19662096 0.83 P2RX3 (0.56) POLBENPP1P2RY1TRPM2SRC
SCHEMBL23734155 0.83 P2RX3 (0.56) POLBENPP1P2RY1TRPM2SRC
SCHEMBL24913568 0.82 POLB (0.40) POLBENPP1P2RY1DNPH1PRKAB2

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-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-26 US disclosed
US-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-05 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-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, RNGTT POLB 12/4885ENPP1 309/4885P2RY1 1498/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 POLB 11/4885ENPP1 271/4885P2RY1 1204/4885

“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.