SCHEMBL21787153

SCHEMBL21787153

CC(C)(CNC(=O)CCCCNC(=O)c1ccc(B(O)O)cc1)SSCOC1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHAT P28329 2/20 0.43
AURKA O14965 2/20 0.42
EP300 Q09472 3/20 0.42
NAA50 Q9GZZ1 2/20 0.42
KAT5 Q92993 2/20 0.42
KAT2B Q92831 1/20 0.42
P2RX3 P56373 4/20 0.41
P2RX2 Q9UBL9 3/20 0.41
P2RX4 Q99571 3/20 0.41
P2RX1 P51575 3/20 0.41
CREBBP Q92793 1/20 0.41
POLB P06746 1/20 0.41
ENPP1 P22413 1/20 0.41
P2RX6 O15547 1/20 0.41
P2RX5 Q93086 1/20 0.41
P2RY11 Q96G91 1/20 0.41
P2RX7 Q99572 1/20 0.41

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
SCHEMBL21787154 1.00 CHAT (0.43) CHATAURKAEP300NAA50KAT5
SCHEMBL21786807 0.90 P2RY2 (0.43) POLB
SCHEMBL21786804 0.90 P2RY2 (0.43) POLB
SCHEMBL19662597 0.90 P2RY2 (0.43) POLB
SCHEMBL21786889 0.88 P2RX3 (0.47) CHATAURKAEP300NAA50KAT5
SCHEMBL19662642 0.86 POLG (0.43) POLB
SCHEMBL19662528 0.86 POLG (0.43) POLB
SCHEMBL21787151 0.86 POLG (0.43) POLB
SCHEMBL21786896 0.86 CHAT (0.46) CHATAURKAEP300NAA50KAT5
SCHEMBL24913298 0.86 P2RX3 (0.49) CHATAURKAP2RX3P2RX2P2RX4

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 CHAT 3641/4885AURKA 2339/4885EP300 3974/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 CHAT 3414/4885AURKA 2489/4885EP300 4220/4885

“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.