Sugi Predict

Sugi Predict / Compounds / SCHEMBL15545933

SCHEMBL15545933

SCHEMBL15545933

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCNCC1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.63
▸ MAPK1 P28482 1/20 0.60
▸ HRH2 P25021 1/20 0.56
▸ HRH1 P35367 1/20 0.56
▸ PABPC1 P11940 1/20 0.56
▸ CTSS P25774 3/20 0.56
▸ CTSK P43235 2/20 0.56
▸ CTSL P07711 1/20 0.56
▸ CTSB P07858 1/20 0.56
▸ ACE P12821 2/20 0.54
▸ ADORA1 P30542 1/20 0.53
▸ ATM Q13315 1/20 0.52
▸ AKT1 P31749 1/20 0.52
▸ PARP1 P09874 1/20 0.51
▸ P2RX7 Q99572 3/20 0.50

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
SCHEMBL29165165 1.00 KMT2A (0.63) KMT2AMAPK1HRH2HRH1PABPC1
Valeric Acid SCHEMBL27945274 0.91 KMT2A (0.55) KMT2AMAPK1HRH2HRH1PABPC1
Thiomorpholine SCHEMBL9051897 0.90 KMT2A (0.58) KMT2AMAPK1HRH2HRH1PABPC1
SCHEMBL5408063 0.90 KMT2A (0.67) KMT2AMAPK1HRH2HRH1PABPC1
SCHEMBL4900321 0.90 KMT2A (0.67) KMT2AMAPK1HRH2HRH1PABPC1
SCHEMBL2795241 0.89 KMT2A (0.52) KMT2AMAPK1HRH2HRH1PABPC1
SCHEMBL6350465 0.88 KMT2A (0.66) KMT2AMAPK1HRH2HRH1PABPC1
SCHEMBL27340724 0.87 KMT2A (0.64) KMT2AMAPK1HRH2HRH1PABPC1
SCHEMBL13291363 0.87 KMT2A (0.64) KMT2AMAPK1HRH2HRH1PABPC1
SCHEMBL6165862 0.86 KMT2A (0.63) KMT2AMAPK1HRH2HRH1PABPC1

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
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 — — US disclosed
EP-4326724-A1 COMPOUND AS ADENOSINE A2A RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2024-02-28 — — EP disclosed
CN-117120443-A Compounds as adenosine A2a receptor antagonists and pharmaceutical compositions containing the same 株式会社 钟根堂 2023-11-24 — — CN disclosed
WO-2022224180-A1 COMPOUND AS ADENOSINE A2A RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2022-10-27 — — WO disclosed
WO-2014005182-A1 PHOSPHOINOSITIDE 3-KINASE (PI3K) INHIBITORS MONASH UNIVERSITY (AU) 2014-01-09 — — WO disclosed
WO-2014005182-A1 PHOSPHOINOSITIDE 3-KINASE (PI3K) INHIBITORS MONASH UNIVERSITY (AU) 2014-01-09 — — 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 (1 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-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ADORA2A, ADORA1, ADORA2B KMT2A 2608/4885MAPK1 2992/4885HRH2 385/4885

“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.