SCHEMBL19987188

SCHEMBL19987188

CC1(CO)C(F)[C@H](n2cnc3c(NCc4ccccc4)nc(Cl)nc32)O[C@@H]1CO

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.61
ADORA2A P29274 3/20 0.61
NT5E P21589 13/20 0.57
ADORA1 P30542 3/20 0.54
ADORA2B P29275 1/20 0.52
CDK1 P06493 1/20 0.52

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
SCHEMBL19974379 1.00 ADORA3 (0.61) ADORA3ADORA2ANT5EADORA1ADORA2B
SCHEMBL19987362 0.82 ADORA3 (0.53) ADORA3ADORA2ANT5EADORA1ADORA2B
SCHEMBL25090698 0.81 ADORA3 (0.60) ADORA3ADORA2ANT5EADORA1ADORA2B
SCHEMBL19366689 0.81 ADORA3 (0.60) ADORA3ADORA2ANT5EADORA1ADORA2B
SCHEMBL19987331 0.80 ADORA3 (0.59) ADORA3ADORA2ANT5EADORA1
SCHEMBL19974382 0.80 ADORA3 (0.59) ADORA3ADORA2ANT5EADORA1
SCHEMBL19987170 0.79 NT5E (0.53) ADORA3ADORA2ANT5E
SCHEMBL19366658 0.79 NT5E (0.75) ADORA3ADORA2ANT5EADORA1ADORA2B
SCHEMBL19974374 0.78 ADORA3 (0.43) ADORA3ADORA2ANT5EADORA1ADORA2B
SCHEMBL21511191 0.78 ADORA3 (0.43) ADORA3ADORA2ANT5EADORA1ADORA2B

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 146/4885NT5E 63/4885

“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.