SCHEMBL19987256

SCHEMBL19987256

CC1(CO)[C@@H](CO)O[C@@H](n2cnc3c(N)nc(Cl)nc32)C1(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.61
ADORA3 P0DMS8 11/20 0.52
ADORA1 P30542 4/20 0.52
PDE4D Q08499 2/20 0.52
PDE3A Q14432 2/20 0.52
PDE2A O00408 1/20 0.52
ADRA1A P35348 1/20 0.52
PNP P00491 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HSP90AA1 P07900 1/20 0.47
HSP90B1 P14625 1/20 0.47
NT5E P21589 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL19974361 1.00 ADORA2A (0.61) ADORA2AADORA3ADORA1PDE4DPDE3A
SCHEMBL19987257 0.86 ADORA2A (0.45) ADORA2AADORA3ADORA1PDE4DPDE3A
SCHEMBL19974375 0.86 ADORA2A (0.45) ADORA2AADORA3ADORA1PDE4DPDE3A
SCHEMBL21490245 0.84 ADORA2A (0.59) ADORA2AADORA3ADORA1SMN1; SMN2ADORA2B
SCHEMBL19987253 0.84 ADORA2A (0.59) ADORA2AADORA3ADORA1SMN1; SMN2ADORA2B
SCHEMBL19961902 0.82 ADORA2A (0.55) ADORA2AADORA3ADORA1PDE4DPDE3A
SCHEMBL19949236 0.79 ADORA2A (0.79) ADORA2AADORA3ADORA1PDE4DPDE3A
SCHEMBL30262554 0.79 ADORA2A (0.79) ADORA2AADORA3ADORA1PDE4DPDE3A
SCHEMBL19987331 0.78 ADORA3 (0.59) ADORA2AADORA3ADORA1PDE4DPDE3A
SCHEMBL19974382 0.78 ADORA3 (0.59) ADORA2AADORA3ADORA1PDE4DPDE3A

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-20190322693-A1 NUCLEOSIDE ANALOGUES AND METHODS OF USE THEREOF LCB PHARMA INC. (CA) 2019-10-24 US disclosed
WO-2018049535-A1 NUCLEOSIDE ANALOGUES AND METHODS OF USE THEREOF LCB PHARMA INC. (CA) 2018-03-22 WO 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-20190322693-A1 NUCLEOSIDE ANALOGUES AND METHODS OF USE THEREOF PNP, TYMP, MTAP ADORA2A 146/4885ADORA3 156/4885ADORA1 397/4885

“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.