SCHEMBL4471712

SCHEMBL4471712

N#Cc1ccc(-c2cccnc2)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 3/20 0.53
GLA P06280 2/20 0.53
GAA P10253 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MDM2 Q00987 1/20 0.48
CYP19A1 P11511 1/20 0.47
CYP11B2 P19099 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
CLK1 P49759 1/20 0.45
NPY5R Q15761 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
MET P08581 1/20 0.44
KDR P35968 1/20 0.44
FASN P49327 1/20 0.43
CYP2A6 P11509 3/20 0.43
KDM5A P29375 1/20 0.43
BTK Q06187 1/20 0.43

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
SCHEMBL21051654 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EGAACYP19A1CYP11B2
SCHEMBL10985180 0.81 KDM4E (0.55) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL4474609 0.80 MDM2 (0.62) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL3519224 0.78 NPY5R (0.57) CYP11B2HPGDNPY5RBTK
SCHEMBL9701575 0.78 MDM2 (0.59) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL11537629 0.77 POLB (0.54) ALDH1A1GAALMNACYP3A4CYP1A2
SCHEMBL11838343 0.76 TYMP (0.51) ALDH1A1CYP19A1CYP11B2HPGDNPY5R
SCHEMBL10911458 0.74 PDE3A (0.71) ALDH1A1KDM4EGAALMNAHPGD
SCHEMBL8402665 0.74 KDM4E (0.70) ALDH1A1KDM4EGLAGAACYP19A1
SCHEMBL9700724 0.74 KDM4E (0.66) ALDH1A1KDM4EGLAGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1646125-A Substituted pyridones as modulators of P38MAP kinase PHARMACIA CORP (US) 2005-07-27 CN claimed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US claimed
CN-101531631-B Substituted pyridinones as modulators of p38 map kinase PHARMACIA CORP 2011-09-28 CN disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
CN-101531631-A Substituted pyridinones as modulators of p38 map kinase PHARMACIA CORP (US) 2009-09-16 CN disclosed
CN-100486576-C Substituted pyridones as modulators of P38MAP kinase PHARMACIA CORP (US) 2009-05-13 CN disclosed
US-7067540-B2 Substituted pyridinones PHARMACIA CORPORATION (US) 2006-06-27 US disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
CN-1646125-A Substituted pyridones as modulators of P38MAP kinase PHARMACIA CORP (US) 2005-07-27 CN disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US disclosed
US-3948903-A Substituted N-(1,2-dihydro-2-oxonicotinyl)-cephalexins and -cephaloglycins PARKE, DAVIS & COMPANY (US) 1976-04-06 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 (2 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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 ALDH1A1 787/4885KDM4E 3869/4885GLA 2495/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 ALDH1A1 741/4885KDM4E 3921/4885GLA 2867/4885

“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.