SCHEMBL19987331

SCHEMBL19987331

CC1(CO)C(F)[C@H](n2cnc3c(N)nc(Cl)nc32)O[C@@H]1CO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.59
ADORA2A P29274 2/20 0.59
PDE4D Q08499 2/20 0.59
PDE3A Q14432 2/20 0.59
PDE2A O00408 1/20 0.59
ADORA1 P30542 1/20 0.59
ADRA1A P35348 1/20 0.59
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 0.49
HSP90B1 P14625 1/20 0.49
NT5E P21589 4/20 0.49
CD99 P14209 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46

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
SCHEMBL19974382 1.00 ADORA3 (0.59) ADORA3ADORA2APDE4DPDE3APDE2A
SCHEMBL12702689 0.90 ADORA2A (0.60) ADORA3ADORA2APDE4DPDE3APDE2A
SCHEMBL12702703 0.90 ADORA2A (0.60) ADORA3ADORA2APDE4DPDE3APDE2A
SCHEMBL12702738 0.90 ADORA2A (0.60) ADORA3ADORA2APDE4DPDE3APDE2A
SCHEMBL12702741 0.90 ADORA2A (0.60) ADORA3ADORA2APDE4DPDE3APDE2A
SCHEMBL1591903 0.90 ADORA2A (0.60) ADORA3ADORA2APDE4DPDE3APDE2A
SCHEMBL1591804 0.90 ADORA2A (0.60) ADORA3ADORA2APDE4DPDE3APDE2A
SCHEMBL21511191 0.86 ADORA3 (0.43) ADORA3ADORA2APDE4DPDE3APDE2A
SCHEMBL19987356 0.86 ADORA3 (0.43) ADORA3ADORA2APDE4DPDE3APDE2A
SCHEMBL19974374 0.86 ADORA3 (0.43) ADORA3ADORA2APDE4DPDE3APDE2A

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 ADORA3 156/4885ADORA2A 146/4885PDE4D 2034/4885

“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.