SCHEMBL26053358

SCHEMBL26053358

COC(=O)c1cn(C2CCOCC2)c(=O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ PKM P14618 1/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ KRAS P01116 1/20 0.36
▸ SOS1 Q07889 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TDP2 O95551 1/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ PLA2G1B P04054 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ PLCG1 P19174 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GALK1 P51570 1/20 0.35

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
SCHEMBL25431879 0.87 CA12 (0.38) OPRK1ALDH1A1CNR2CNR1KDM4E
SCHEMBL27186169 0.86 OPRK1 (0.42) OPRK1ALDH1A1CNR2CNR1IRAK4
SCHEMBL30720464 0.86 OPRK1 (0.39) OPRK1CNR2CNR1IRAK4MEN1
SCHEMBL25433261 0.86 BAZ2B (0.39) OPRK1ALDH1A1IRAK4MEN1KMT2A
SCHEMBL27186173 0.86 ALDH1A1 (0.45) OPRK1ALDH1A1CNR2CNR1KDM4E
SCHEMBL26053356 0.83 IRAK4 (0.40) OPRK1ALDH1A1KDM4EGLAIRAK4
SCHEMBL25434814 0.83 OPRK1 (0.40) OPRK1ALDH1A1KDM4EIRAK4HSP90AA1
SCHEMBL27190906 0.82 OPRK1 (0.37) OPRK1ALDH1A1CNR2CNR1IRAK4
SCHEMBL29168379 0.80 HTR3A (0.41) OPRK1ALDH1A1
SCHEMBL27186741 0.79 IRAK4 (0.35) OPRK1ALDH1A1CNR2KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265090-A1 QUINAZOLINE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-08-24 — — US 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-20230265090-A1 QUINAZOLINE COMPOUND ABCG2, CYP3A7, ABL1 OPRK1 664/4885ALDH1A1 2369/4885PKM 2336/4885

“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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