SCHEMBL21786784

SCHEMBL21786784

CC1=CC(C)=[N+]2C1=Cc1ccc(CCC(=O)NCC(C)(C)SSCOC3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)OP(=O)(O)OP(=O)(O)O)n1[B-]2(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.45
CHAT P28329 2/20 0.39
AURKA O14965 2/20 0.39
NAA50 Q9GZZ1 2/20 0.38
EP300 Q09472 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
P2RX3 P56373 5/20 0.38
P2RX1 P51575 2/20 0.38
P2RX2 Q9UBL9 2/20 0.38
DTYMK P23919 2/20 0.38
POLB P06746 1/20 0.37
P2RX4 Q99571 4/20 0.37
P2RX7 Q99572 1/20 0.36

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
SCHEMBL21786902 0.95 JAK2 (0.43) JAK2CHATAURKANAA50EP300
SCHEMBL21786901 0.91 P2RY2 (0.40) JAK2POLB
SCHEMBL21787157 0.88 POLG (0.38) JAK2POLB
SCHEMBL21786899 0.87 JAK2 (0.33) JAK2
SCHEMBL21787069 0.86 KRAS (0.39) JAK2POLB
SCHEMBL21787159 0.86 POLB (0.42) JAK2DTYMKPOLB
SCHEMBL21786903 0.84 POLG (0.35) JAK2POLB
SCHEMBL24913477 0.83 ESRRA (0.34) JAK2
SCHEMBL21786889 0.82 P2RX3 (0.47) CHATAURKANAA50EP300KAT2B
SCHEMBL24913298 0.82 P2RX3 (0.49) CHATAURKAP2RX3P2RX1P2RX2

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 JAK2 1849/4885CHAT 3641/4885AURKA 2339/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 JAK2 2078/4885CHAT 3414/4885AURKA 2489/4885

“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.