SCHEMBL20666735

SCHEMBL20666735

Cc1cc(F)cc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 8/20 0.59
▸ SRC P12931 3/20 0.43
▸ PIK3CD O00329 2/20 0.43
▸ ABL1 P00519 2/20 0.43
▸ EGFR P00533 2/20 0.43
▸ HCK P08631 2/20 0.43
▸ KDR P35968 2/20 0.43
▸ PIK3CA P42336 2/20 0.43
▸ PIK3CB P42338 2/20 0.43
▸ MTOR P42345 2/20 0.43
▸ PIK3CG P48736 2/20 0.43
▸ EPHB4 P54760 2/20 0.43
▸ PRKDC P78527 2/20 0.43
▸ POLB P06746 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ DYRK1A Q13627 1/20 0.41
▸ GRM1 Q13255 1/20 0.41

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
SCHEMBL20666937 0.92 ADORA2A (0.59) ADORA2ASRCPIK3CDABL1EGFR
SCHEMBL20666932 0.87 ADORA2A (0.54) ADORA2ASRCPIK3CDABL1EGFR
SCHEMBL20666123 0.87 ADORA2A (0.58) ADORA2ASRCPIK3CDABL1EGFR
SCHEMBL20666133 0.87 ADORA2A (0.63) ADORA2ASRCPIK3CDABL1EGFR
SCHEMBL20666945 0.83 ADORA2A (0.59) ADORA2ASRCPIK3CDABL1EGFR
SCHEMBL20667251 0.83 ADORA2A (0.61) ADORA2ASRCPIK3CDABL1EGFR
SCHEMBL20666674 0.83 ADORA2A (0.61) ADORA2ASRCPIK3CDABL1EGFR
SCHEMBL20667850 0.82 ADORA2A (0.62) ADORA2ASRCPIK3CDABL1EGFR
SCHEMBL20657863 0.82 ADORA2A (0.62) ADORA2ASRCPIK3CDABL1EGFR
SCHEMBL20666931 0.81 ADORA2A (0.59) ADORA2ASRCPIK3CDABL1EGFR

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 1/4885SRC 1811/4885PIK3CD 589/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885SRC 1811/4885PIK3CD 589/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885SRC 1811/4885PIK3CD 589/4885

“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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