SCHEMBL20666136

SCHEMBL20666136

Cn1ccc(-c2nc(N)c(C(N)=O)nc2-c2cc(F)c3ncccc3c2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 18/20 0.57
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ ROS1 P08922 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ AXL P30530 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ FRK P42685 1/20 0.38
▸ MAP4K2 Q12851 1/20 0.38
▸ NTRK3 Q16288 1/20 0.38
▸ MINK1 Q8N4C8 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ HIPK2 Q9H2X6 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ STK17A Q9UEE5 1/20 0.38
▸ ALK Q9UM73 1/20 0.38

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
SCHEMBL20658438 0.89 ADORA2A (0.72) ADORA2A
SCHEMBL20666344 0.82 ADORA2A (0.71) ADORA2A
SCHEMBL20666324 0.82 ADORA2A (0.71) ADORA2A
SCHEMBL20666347 0.80 ADORA2A (0.71) ADORA2A
SCHEMBL20658454 0.79 ADORA2A (0.78) ADORA2AADORA3ADORA1
SCHEMBL20666331 0.79 ADORA2A (0.68) ADORA2A
SCHEMBL20667123 0.79 ADORA2A (0.68) ADORA2A
SCHEMBL20667719 0.79 ADORA2A (0.75) ADORA2A
SCHEMBL20667291 0.77 ADORA2A (0.81) ADORA2A
SCHEMBL20667199 0.77 ADORA2A (0.74) ADORA2A

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

“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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