SCHEMBL20666941

SCHEMBL20666941

N#Cc1nc(-c2ccc3ncccc3c2)c(-c2ccc(Cl)cc2F)nc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 8/20 0.52
▸ TGFBR1 P36897 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TGFBR2 P37173 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ HCK P08631 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ EPHB4 P54760 1/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ ALOX5AP P20292 1/20 0.39

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
SCHEMBL20666930 0.90 ADORA2A (0.54) ADORA2ANPC1POLBRAB9ADYRK1A
SCHEMBL20666113 0.87 ADORA2A (0.56) ADORA2ANPC1POLBRAB9ADYRK1A
SCHEMBL20666938 0.87 ADORA2A (0.56) ADORA2ATGFBR1NPC1POLBRAB9A
SCHEMBL20667472 0.87 ADORA2A (0.60) ADORA2ATGFBR1NPC1POLBRAB9A
SCHEMBL20666945 0.86 ADORA2A (0.59) ADORA2ANPC1POLBRAB9ADYRK1A
SCHEMBL20666939 0.86 ADORA2A (0.52) ADORA2ANPC1POLBRAB9ADYRK1A
SCHEMBL20666732 0.85 ADORA2A (0.56) ADORA2ANPC1POLBRAB9ADYRK1A
SCHEMBL20667474 0.85 ADORA2A (0.58) ADORA2ATGFBR1NPC1POLBRAB9A
SCHEMBL20666931 0.84 ADORA2A (0.59) ADORA2ATGFBR1NPC1POLBRAB9A
SCHEMBL20666932 0.83 ADORA2A (0.54) ADORA2ATGFBR1NPC1POLBRAB9A

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 1/4885TGFBR1 2712/4885NPC1 4008/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885TGFBR1 2712/4885NPC1 4008/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885TGFBR1 2712/4885NPC1 4008/4885

“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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