SCHEMBL21063333

SCHEMBL21063333

CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccccn2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ GPR119 Q8TDV5 2/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ GRM5 P41594 1/20 0.40
▸ EIF2AK3 Q9NZJ5 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ DTYMK P23919 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ BCHE P06276 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
SCHEMBL3956276 0.81 GPR119 (0.54) GPR119GRM5POLBDTYMKKDM4E
SCHEMBL20571442 0.79 HDAC1 (0.55) HDAC1HDAC6GPR119KDM1APOLB
SCHEMBL30793467 0.79 GPR119 (0.51) GPR119GRM5POLBDTYMKKDM4E
SCHEMBL3109454 0.76 HDAC1 (0.54) HDAC1HDAC6GPR119KDM1APOLB
SCHEMBL30829767 0.76 HDAC1 (0.54) HDAC1HDAC6GPR119KDM1APOLB
SCHEMBL5431085 0.75 CYP11B2 (0.50) GPR119POLBDTYMKALDH1A1
SCHEMBL6635461 0.75 ALDH1A1 (0.63) EIF2AK3POLBL3MBTL1ALDH1A1
SCHEMBL21424895 0.74 HDAC1 (0.57) HDAC1HDAC6GPR119KDM1APOLB
SCHEMBL6339719 0.73 ALDH1A1 (0.51) POLBKDM4EALDH1A1
SCHEMBL29676749 0.73 ALDH1A1 (0.51) POLBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3723754-B1 IMIDAZO [1,2-C] QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME LLC (US) 2026-05-13 — — EP 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
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 HDAC1 977/4885HDAC6 562/4885GPR119 188/4885
US-20210053973-A1 IMIDAZO[1,2-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA3, ADORA1 HDAC1 800/4885HDAC6 550/4885GPR119 198/4885

“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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