SCHEMBL21063255

SCHEMBL21063255

Nc1nc2c(F)cccc2c2nc(CC3CCN(Cc4cccnc4)CC3)cn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.45
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.38
CACNA1I Q9P0X4 1/20 0.37
SCN9A Q15858 1/20 0.37
GBA1 P04062 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37
HTR3A P46098 1/20 0.37

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
SCHEMBL29996110 0.90 CCR3 (0.46) KDM4EALDH1A1ATMMAPTHTR2C
SCHEMBL21063195 0.90 CCR3 (0.46) KDM4EALDH1A1ATMMAPTHTR2C
SCHEMBL21063102 0.85 DRD4 (0.38) KDM4EALDH1A1ATMHTR1AHTR2C
SCHEMBL29996292 0.85 DRD4 (0.38) KDM4EALDH1A1ATMHTR1AHTR2C
SCHEMBL21063197 0.85 ATM (0.50) KDM4EALDH1A1LMNAATMMAPT
SCHEMBL29995937 0.85 ATM (0.50) KDM4EALDH1A1LMNAATMMAPT
SCHEMBL29996483 0.85 HTR2B (0.39) ADORA2AHTR1AHTR2CHTR7HTR2B
SCHEMBL21062896 0.85 HTR2B (0.39) ADORA2AHTR1AHTR2CHTR7HTR2B
SCHEMBL21063268 0.83 KDM4E (0.43) KDM4EALDH1A1MAPTHTR1AHTR2B
SCHEMBL23023816 0.83 BCHE (0.35) ALDH1A1ATMHTR1AHTR2CHTR7

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 12 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 claimed
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
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-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 ADORA2A 1/4885KDM4E 3642/4885ALDH1A1 995/4885
US-20210053973-A1 IMIDAZO[1,2-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885KDM4E 3509/4885ALDH1A1 969/4885

“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.