SCHEMBL18073287

SCHEMBL18073287

C=C[C@]1(CC)O[C@@H](n2cnc3c(N)ncnc32)[C@H](OC(C)=O)[C@@H]1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90B1 P14625 2/20 0.46
▸ AHCY P23526 8/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ TMEM97 Q5BJF2 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ TSHR P16473 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ TMIGD3 P0DMS9 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PI4KA P42356 1/20 0.43
▸ PI4K2B Q8TCG2 1/20 0.43

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
SCHEMBL12386685 0.83 PRMT5 (0.56) HSP90B1AHCYHIF1ATMEM97SIGMAR1
SCHEMBL18073288 0.83 PRMT5 (0.56) HSP90B1AHCYHIF1ATMEM97SIGMAR1
SCHEMBL12386692 0.83 AHCY (0.41) HSP90B1AHCYHIF1ATMEM97SIGMAR1
SCHEMBL12386688 0.82 PRMT6 (0.51) ADORA2AADORA2B
SCHEMBL17641398 0.81 AHCY (0.49) HSP90B1AHCYHSP90AA1ADORA3ADORA2A
SCHEMBL17633025 0.79 AHCY (0.47) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL21166687 0.79 AHCY (0.47) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL12851809 0.77 P2RX3 (0.47) HSP90B1AHCY
SCHEMBL15203726 0.75 ADORA3 (0.51) AHCYHIF1ATMEM97SIGMAR1MAPK1
SCHEMBL18073276 0.74 LMNA (0.40) TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264611-A1 4'-VINYL SUBSTITUTED NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS RNA REPLICATION RIBOSCIENCE LLC 2016-09-15 — — 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 (1 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-20160264611-A1 4'-VINYL SUBSTITUTED NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS RNA REPLICATION NSUN2, RNMT, RRM2 HSP90B1 3656/4885AHCY 2316/4885HIF1A 1502/4885

“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.

Send feedback