SCHEMBL17768671

SCHEMBL17768671

CC(C)n1ncnc1C=O

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 4/20 0.32
▸ ABL1 P00519 4/20 0.32
▸ EGFR P00533 4/20 0.32
▸ HCK P08631 4/20 0.32
▸ SRC P12931 4/20 0.32
▸ KDR P35968 4/20 0.32
▸ PIK3CA P42336 4/20 0.32
▸ MTOR P42345 4/20 0.32
▸ PIK3CG P48736 4/20 0.32
▸ EPHB4 P54760 4/20 0.32
▸ PRKDC P78527 4/20 0.32
▸ PIK3CB P42338 3/20 0.32
▸ PI4KB Q9UBF8 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1528250 0.74 — —
SCHEMBL2041363 0.73 — —
Ammonia Solution, Strong SCHEMBL28792463 0.71 KDM4E (0.35) ABL1ALDH1A1
SCHEMBL11967315 0.68 PIK3CA (0.30) PIK3CA
SCHEMBL11836639 0.68 — —
SCHEMBL5259720 0.68 — —
SCHEMBL3161069 0.68 — —
SCHEMBL1431710 0.67 KDM4E (0.36) ALDH1A1SMN1; SMN2
SCHEMBL1485662 0.67 SRC (0.35) PIK3CDABL1EGFRHCKSRC
SCHEMBL12410994 0.67 MAP3K12 (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171437-A1 (4-BENZO[D]OXAZOL-2-YL)-6,7-DIHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE-5(4H)-YL)METHANONE DERIVATIVES AS MUTANT PAH STABILIZERS FOR THE TREATMENT OF PHENYLKETONURIA AGIOS PHARMACEUTICALS, INC. 2025-05-29 — — US disclosed
US-20250171438-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2025-05-29 — — US disclosed
US-10472347-B2 Aminopyrazine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2019-11-12 — — US disclosed
US-10472347-B2 Aminopyrazine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2019-11-12 — — US disclosed
US-20180327385-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2018-11-15 — — US disclosed
EP-3220910-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES Merck Sharp & Dohme Corp. (US) 2017-09-27 — — EP disclosed
CN-107106558-A Having a2AAminopyrazine compounds with antagonist properties 默沙东公司 2017-08-29 — — CN disclosed
WO-2016081290-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2016-05-26 — — 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 (4 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-20250171437-A1 (4-BENZO[D]OXAZOL-2-YL)-6,7-DIHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE-5(4H)-YL)METHANONE DERIVATIVES AS MUTANT PAH STABILIZERS FOR THE TREATMENT OF PHENYLKETONURIA PAH, BCKDK, PKM PIK3CD 4206/4885ABL1 672/4885EGFR 3990/4885
US-10472347-B2 Aminopyrazine compounds with A2A antagonist properties ADORA2A, ADORA1, ADORA3 PIK3CD 2974/4885ABL1 2613/4885EGFR 3638/4885
US-20180327385-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA1, ADORA3 PIK3CD 2974/4885ABL1 2613/4885EGFR 3638/4885
US-20250171438-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 PIK3CD 4599/4885ABL1 399/4885EGFR 4024/4885

“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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