SCHEMBL21063252

SCHEMBL21063252

Nc1nc2c(F)cccc2c2nc(-c3ccccc3CO)cn12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.43
ADORA2A P29274 12/20 0.37
ADORA1 P30542 7/20 0.36
KCNN4 O15554 1/20 0.36
ATR Q13535 2/20 0.34
GRM2 Q14416 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL29996099 1.00 TLR8 (0.43) TLR8ADORA2AADORA1KCNN4ATR
SCHEMBL21063018 0.80 KDM4E (0.45) ADORA2AADORA1KDM4E
SCHEMBL29996147 0.79 ADORA2A (0.36) ADORA2AADORA1GRM2
SCHEMBL21063335 0.79 ADORA2A (0.36) ADORA2AADORA1GRM2
SCHEMBL38657824 0.73 GRM2 (0.48) ADORA2AADORA1GRM2
SCHEMBL21063161 0.72 ADORA2A (0.44) TLR8ADORA2AADORA1KDM4E
SCHEMBL29996830 0.72 ADORA2A (0.44) TLR8ADORA2AADORA1KDM4E
SCHEMBL21063321 0.71 ADORA1 (0.43) TLR8ADORA2AADORA1
SCHEMBL21063210 0.70 GRM5 (0.43) KDM4E
SCHEMBL21063123 0.70 ADORA2A (0.47) ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210053973-A1 IMIDAZO[1,2-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2021-02-25 US claimed
EP-3723754-A1 IMIDAZO [1,2-C] QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2020-10-21 EP claimed
WO-2019118313-A1 IMIDAZO [1,2-C] QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2019-06-20 WO claimed
US-11498923-B2 Substituted imidazo[1,2-c]quinazolines as A2A antagonists MERCK SHARP & DOHME LLC (US) 2022-11-15 US disclosed
US-11498923-B2 Substituted imidazo[1,2-c]quinazolines as A2A antagonists MERCK SHARP & DOHME LLC (US) 2022-11-15 US disclosed
US-20210053973-A1 IMIDAZO[1,2-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2021-02-25 US disclosed
US-20210053973-A1 IMIDAZO[1,2-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2021-02-25 US disclosed
EP-3723754-A1 IMIDAZO [1,2-C] QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2020-10-21 EP disclosed
WO-2019118313-A1 IMIDAZO [1,2-C] QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2019-06-20 WO disclosed
WO-2019118313-A1 IMIDAZO [1,2-C] QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2019-06-20 WO 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 (2 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-11498923-B2 Substituted imidazo[1,2-c]quinazolines as A2A antagonists ADORA2A, ADORA3, ADORA1 TLR8 1644/4885ADORA2A 1/4885ADORA1 3/4885
US-20210053973-A1 IMIDAZO[1,2-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA3, ADORA1 TLR8 1648/4885ADORA2A 1/4885ADORA1 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.