SCHEMBL4393322

SCHEMBL4393322

CCOC(=O)c1[nH]ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 3/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
NUDT1 P36639 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CNR2 P34972 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNQ4 P56696 2/20 0.38
KCNQ5 Q9NR82 2/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL27969574 0.86 CNR2 (0.51) ALDH1A1LMNACNR2SMN1; SMN2NPC1
SCHEMBL1492325 0.81 KDM4E (0.50) KDM4EMAPTNPSR1ALDH1A1HPGD
SCHEMBL25241521 0.80 KDM4E (0.51) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL4200796 0.80 ALDH1A1 (0.45) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL27413370 0.79 L3MBTL1 (0.43) KDM4EMAPTNPSR1KMT2ANUDT1
SCHEMBL28896542 0.78 AAK1 (0.45) KDM4EMAPTNPSR1KMT2AMEN1
SCHEMBL28896541 0.78 AAK1 (0.45) KDM4EMAPTNPSR1KMT2AMEN1
SCHEMBL2626729 0.77 KMT2A (0.44) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL12495777 0.76 LMNA (0.41) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL8183538 0.76 ALOX15 (0.38) KDM4EMAPTNPSR1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403584-B 2-thio-2, 3-dihydropyrimidine-4-one derivatives, pharmaceutical compositions, preparation methods and applications thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115403584-A 2-thio-2, 3-dihydropyrimidine-4-one derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-11-29 CN disclosed
EP-2683720-A1 1H-PYROLLO[3,2-d]PYRIMIDINEDIONE DERIVATIVES GlaxoSmithKline LLC (US) 2014-01-15 EP disclosed
WO-2012119979-A1 1H-PYROLLO[3,2-d]PYRIMIDINEDIONE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2012-09-13 WO disclosed
US-20090306067-A1 2, 4-DIAMINOPYRIMIDIDE DERIVATES AND THEIR USE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 US disclosed
EP-2007754-A1 2, 4-DIAMINOPYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
WO-2007115999-A1 2, 4-DIAMINOPYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 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-20090306067-A1 2, 4-DIAMINOPYRIMIDIDE DERIVATES AND THEIR USE FOR THE TREATMENT OF CANCER MKI67, CCND1, CCNT1 KDM4E 363/4885MAPT 3452/4885NPSR1 2642/4885

“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.