SCHEMBL21787222

SCHEMBL21787222

Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCC3=CCC(/N=N/c4ccc(C(=O)NCC#Cc5cn([C@H]6CC(OCSSC(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O6)c(=O)nc5N)cc4)C(O)=C3)=[N+]1[B-]2(F)F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.44
ADORA1 P30542 1/20 0.31
P2RY2 P41231 2/20 0.31
SLC5A2 P31639 5/20 0.31
ACKR3 P25106 2/20 0.31
SPTLC2 O15270 1/20 0.31
SPTLC3 Q9NUV7 1/20 0.31

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
SCHEMBL21787219 0.80 JAK2 (0.41) JAK2P2RY2SLC5A2
SCHEMBL21787056 0.73 JAK2 (0.49) JAK2ADORA1P2RY2SLC5A2
SCHEMBL21786988 0.70
SCHEMBL25753580 0.68 POLG (0.44) P2RY2
SCHEMBL22327080 0.68 POLG (0.44) P2RY2
SCHEMBL22327076 0.68 POLG (0.44) P2RY2
SCHEMBL22327216 0.68 POLG (0.44) P2RY2
SCHEMBL25753931 0.68 POLG (0.44) P2RY2
SCHEMBL23734382 0.67 POLG (0.33) P2RY2
SCHEMBL24858810 0.65 POLG (0.43) P2RY2

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 1849/4885ADORA1 456/4885P2RY2 1781/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 JAK2 2078/4885ADORA1 389/4885P2RY2 1489/4885

“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.