SCHEMBL20667533

SCHEMBL20667533

N#Cc1nc(-c2cc(F)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 12/20 0.58
▸ ADORA1 P30542 3/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ ALOX5AP P20292 2/20 0.38
▸ FEN1 P39748 2/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ERBB2 P04626 1/20 0.36
▸ USP8 P40818 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL20667492 0.92 ADORA2A (0.57) ADORA2AADORA1ADORA3USP8
SCHEMBL20667229 0.90 ADORA2A (0.68) ADORA2AADORA1KDM4EALDH1A1MAPT
SCHEMBL20666263 0.83 ADORA2A (0.51) ADORA2AADORA1ADORA3ALOX5APFEN1
SCHEMBL20666042 0.82 ADORA2A (0.43) ADORA2AADORA1ADORA3KDM4EMAPK14
SCHEMBL20667728 0.81 ADORA2A (0.71) ADORA2AADORA1USP8
SCHEMBL14545408 0.80 ERBB2 (0.53) ADORA2AADORA1KDM4EALDH1A1GAA
SCHEMBL20666937 0.79 ADORA2A (0.59) ADORA2AKDM4EALDH1A1MAPTHSD17B10
SCHEMBL20666945 0.79 ADORA2A (0.59) ADORA2AKDM4EALDH1A1MAPTHSD17B10
SCHEMBL20392690 0.79 ADORA2A (0.56) ADORA2AADORA1ADORA3MAPK14
SCHEMBL20667176 0.78 ADORA2A (0.57) ADORA2AADORA1ADORA3KDM4EMAPK14

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 1/4885ADORA1 3/4885ADORA3 2/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA3 2/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA3 2/4885

“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.

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