SCHEMBL21063018

SCHEMBL21063018

Nc1nc2c(F)cccc2c2nc(-c3ccccc3)cn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADORA1 P30542 5/20 0.43
ADORA2A P29274 4/20 0.43
CLK4 Q9HAZ1 2/20 0.43
NTRK1 P04629 1/20 0.43
IGF1R P08069 1/20 0.43
FGFR1 P11362 1/20 0.43
LTK P29376 1/20 0.43
MAP2K2 P36507 1/20 0.43
MAPK9 P45984 1/20 0.43
RPS6KA3 P51812 1/20 0.43
PRKX P51817 1/20 0.43
PRKCQ Q04759 1/20 0.43

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
SCHEMBL21063252 0.80 TLR8 (0.43) KDM4EADORA1ADORA2A
SCHEMBL29996099 0.80 TLR8 (0.43) KDM4EADORA1ADORA2A
SCHEMBL29996830 0.78 ADORA2A (0.44) KDM4EALDH1A1SMN1; SMN2ADORA1ADORA2A
SCHEMBL21063161 0.78 ADORA2A (0.44) KDM4EALDH1A1SMN1; SMN2ADORA1ADORA2A
SCHEMBL21063335 0.78 ADORA2A (0.36) ADORA1ADORA2ACYP1A2CYP3A4CYP2C9
SCHEMBL29996147 0.78 ADORA2A (0.36) ADORA1ADORA2ACYP1A2CYP3A4CYP2C9
SCHEMBL21063321 0.77 ADORA1 (0.43) ADORA1ADORA2AADORA3
SCHEMBL38657824 0.76 GRM2 (0.48) ADORA1ADORA2A
SCHEMBL21063210 0.75 GRM5 (0.43) KDM4EALDH1A1RAB9AGAAMAPT
SCHEMBL21062964 0.74 ADORA2A (0.41) KDM4EALDH1A1MEN1KMT2AADORA1

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 11 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
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 KDM4E 3642/4885ALDH1A1 995/4885NPC1 1306/4885
US-20210053973-A1 IMIDAZO[1,2-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA3, ADORA1 KDM4E 3509/4885ALDH1A1 969/4885NPC1 1423/4885

“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.