SCHEMBL21787181

SCHEMBL21787181

CCC(=O)NCC(C)(C)SSCO[C@@H]1C[C@H](n2cnc3c(N)ncnc32)OC1CCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
ENPP1 P22413 1/20 0.39
P2RY1 P47900 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
PRMT7 Q9NVM4 1/20 0.39
ADORA3 P0DMS8 3/20 0.38
ADORA2A P29274 3/20 0.38
TSHR P16473 3/20 0.38
MAPK1 P28482 2/20 0.38
ADORA2B P29275 2/20 0.38
ADORA1 P30542 2/20 0.38
CYP2C19 P33261 1/20 0.38
HSP90AA1 P07900 1/20 0.38
TMIGD3 P0DMS9 1/20 0.38
HSP90B1 P14625 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL24913385 0.92 PRKACA (0.41) POLBENPP1P2RY1DOT1LADCY5
SCHEMBL21787115 0.86 P2RX3 (0.49) POLBP2RY1
SCHEMBL24913298 0.86 P2RX3 (0.49) POLBP2RY1
SCHEMBL21786910 0.86 KDM4E (0.43) POLB
SCHEMBL21787123 0.86 POLB (0.45) POLBENPP1P2RY1ADORA1
SCHEMBL24913574 0.86 DOT1L (0.36) POLBENPP1P2RY1ADORA3ADORA2A
SCHEMBL21786816 0.85 ADA (0.43) POLBENPP1P2RY1ADORA3ADORA2A
SCHEMBL19662777 0.81 ADA (0.47) POLBENPP1P2RY1ADORA3ADORA2A
SCHEMBL24913503 0.80 POLB (0.42) POLBENPP1P2RY1MAPK1MEN1
SCHEMBL24913397 0.80 POLB (0.42) POLBENPP1P2RY1MAPK1MEN1

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.