SCHEMBL6536604

SCHEMBL6536604

O=c1[nH]cccc1CCCO

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.45
NAPRT Q6XQN6 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
PARP1 P09874 1/20 0.38
MCL1 Q07820 1/20 0.37
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHEK1 O14757 3/20 0.35
DHODH Q02127 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL9234355 0.86 DAO (0.45) DAONAPRTAURKAAURKBINCENP
SCHEMBL8712639 0.81 DAO (0.41) DAONAPRTAURKAAURKBINCENP
SCHEMBL10692239 0.81 DAO (0.41) DAONAPRTAURKAAURKBINCENP
SCHEMBL4602524 0.81 CHEK1 (0.51) DAONAPRTAURKAAURKBINCENP
SCHEMBL217278 0.79
SCHEMBL2495417 0.79 GPR84 (0.46) DAOAURKAAURKBINCENPMCL1
SCHEMBL14974903 0.78 GPR84 (0.49) MCL1KDM4ETHRB
SCHEMBL10764266 0.78 GPR84 (0.49) MCL1KDM4ETHRB
SCHEMBL16057325 0.78 DAO (0.46) DAOMCL1
SCHEMBL5166986 0.78 GPR84 (0.49) MCL1KDM4ETHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108017577-A The process for catalytic synthesis of 2- pyridones 怀化学院 2018-05-11 CN disclosed
US-6696552-B2 AMIDATION BETWEEN PRIMARY AMINE AND ESTER HAVING ELECTRON WITHDRAWING FUNCTIONALITY; CYCLIZATION WITH KETO ESTER XEROX CORPORATION 2004-02-24 US disclosed
US-20040006234-A1 PROCESS FOR PREPARING SUBSTITUTED PYRIDONE COMPOUNDS XEROX CORPORATION 2004-01-08 US disclosed
US-6673139-B1 Phase change inks containing dimeric azo pyridone colorants XEROX CORPORATION 2004-01-06 US disclosed
US-6646111-B1 Phase change inks XEROX CORPORATION 2003-11-11 US disclosed
US-6576748-B1 Diazotizing dianiline compound; salt formation, coupling, desalting; reaction with pyridone or dipyridone compound XEROX CORPORATION 2003-06-10 US disclosed
EP-0873319-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-10-28 EP disclosed
EP-0858451-A1 PHARMACEUTICALLY ACTIVE QUINAZOLINE COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-08-19 EP disclosed
WO-1997022596-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-06-26 WO disclosed
WO-1997014686-A1 PHARMACEUTICALLY ACTIVE QUINAZOLINE COMPOUNDS ASTRA PHARMACEUTICALS LIMITED (GB) 1997-04-24 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-20040006234-A1 PROCESS FOR PREPARING SUBSTITUTED PYRIDONE COMPOUNDS PDXK, DPYD, RRM2B DAO 2287/4885NAPRT 852/4885AURKA 756/4885

“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.