SCHEMBL4771423

SCHEMBL4771423

CCOC(=O)c1cnn(Cc2cccc(OC)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
KLKB1 P03952 3/20 0.52
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CD74 P04233 1/20 0.49
MIF P14174 1/20 0.49
GRM2 Q14416 1/20 0.48
LMNA P02545 2/20 0.46
TAS2R8 Q9NYW2 1/20 0.46
THRB P10828 1/20 0.46
ALKBH1 Q13686 1/20 0.46
DGAT2 Q96PD7 1/20 0.46
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
CMA1 P23946 1/20 0.45

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
SCHEMBL30119596 0.89 KMT2A (0.48) MEN1KMT2AKLKB1HPGDSMN1; SMN2
SCHEMBL28604358 0.89 KMT2A (0.48) MEN1KMT2AKLKB1HPGDSMN1; SMN2
SCHEMBL28587535 0.86 SMN1; SMN2 (0.50) MEN1KMT2AKLKB1HPGDSMN1; SMN2
SCHEMBL30119622 0.86 SMN1; SMN2 (0.50) MEN1KMT2AKLKB1HPGDSMN1; SMN2
SCHEMBL15154992 0.85 KMT2A (0.68) MEN1KMT2AKLKB1ALDH1A1MAPT
SCHEMBL369369 0.85 L3MBTL1 (0.54) MEN1KMT2AKLKB1SMN1; SMN2ALDH1A1
SCHEMBL4767882 0.85 GRM2 (0.56) KMT2AKLKB1HPGDSMN1; SMN2GRM2
SCHEMBL31591067 0.84 KLKB1 (0.58) MEN1KMT2AKLKB1HPGDSMN1; SMN2
SCHEMBL30739140 0.84 KLKB1 (0.58) MEN1KMT2AKLKB1HPGDSMN1; SMN2
SCHEMBL553848 0.84 ALDH1A1 (0.60) KLKB1SMN1; SMN2ALDH1A1GRM2LMNA

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
CN-118373832-B Macrocyclic compound, pharmaceutical composition and application thereof 深圳晶蛋生物医药科技有限公司 2025-01-28 CN disclosed
WO-2024153028-A1 MACROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 深圳晶蛋生物医药科技有限公司 2024-07-25 WO disclosed
CN-118373832-A Macrocyclic compound, pharmaceutical composition and application thereof 深圳晶蛋生物医药科技有限公司 2024-07-23 CN disclosed
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
EP-1678181-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-07-12 EP disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US disclosed
WO-2005042534-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-05-12 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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 MEN1 4726/4885KMT2A 1806/4885KLKB1 2283/4885

“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.