SCHEMBL20667751

SCHEMBL20667751

COC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.69
ALOX15 P16050 1/20 0.54
HTT P42858 1/20 0.54
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
MCL1 Q07820 1/20 0.45
DYRK1A Q13627 1/20 0.45

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
SCHEMBL20657835 0.88 ADORA2A (0.69) ADORA2ANPC1POLBRAB9AMCL1
SCHEMBL20658482 0.88 ADORA2A (0.68) ADORA2ANPC1POLBRAB9AMCL1
SCHEMBL20658662 0.87 ADORA2A (0.67) ADORA2ANPC1POLBRAB9AMCL1
SCHEMBL22230366 0.86 ADORA2A (0.69) ADORA2AALOX15HTT
SCHEMBL20667019 0.82 ADORA2A (0.69) ADORA2A
SCHEMBL22242396 0.82 ADORA2A (0.69) ADORA2A
SCHEMBL20667480 0.82 NPC1 (0.62) ADORA2AHTTNPC1POLBRAB9A
SCHEMBL22230322 0.82 ADORA2A (1.00) ADORA2A
SCHEMBL22230323 0.82 ADORA2A (1.00) ADORA2A
SCHEMBL20667139 0.81 ADORA2A (0.53) ADORA2AHTTNPC1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 US disclosed
US-11028058-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2021-06-08 US disclosed
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-01-24 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 (3 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-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ALOX15 1885/4885HTT 3160/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ALOX15 1885/4885HTT 3160/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ALOX15 1885/4885HTT 3160/4885

“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.