SCHEMBL1504630

SCHEMBL1504630

O=C(Nc1cc(C(=O)NC2CC2)ccc1Cl)c1ccc(=O)n(-c2c(Cl)cccc2Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPK14 Q16539 11/20 0.47
MAPK11 Q15759 6/20 0.43
MAPK13 O15264 2/20 0.43
MAPK12 P53778 1/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
CYP1A2 P05177 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CNR2 P34972 1/20 0.42
F10 P00742 1/20 0.41
MAPKAPK2 P49137 1/20 0.41

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
SCHEMBL1504459 0.93 MAPK14 (0.54) KDM4EMEN1POLBMAPTMAPK1
SCHEMBL1504506 0.91 MAPK14 (0.56) KDM4EMEN1POLBMAPTMAPK1
SCHEMBL1504173 0.91 MAPK14 (0.55) MAPK14MAPK11MAPK13MAPK12
SCHEMBL1504402 0.91 KMT2A (0.42) KDM4EMEN1POLBMAPTMAPK1
SCHEMBL1504726 0.90 KDM4E (0.50) KDM4EMEN1POLBMAPTMAPK1
SCHEMBL10042723 0.87 KDM4E (0.52) KDM4EMEN1POLBMAPTMAPK1
SCHEMBL1504505 0.87 HDAC1 (0.48) MEN1MAPTKMT2AHDAC1HDAC8
SCHEMBL1504706 0.85 MAPK14 (0.48) KDM4EMEN1POLBMAPTMAPK1
SCHEMBL2673907 0.85 MAPK14 (0.48) KDM4EMEN1POLBMAPTMAPK1
SCHEMBL1504734 0.85 MAPK14 (0.53) MAPK14MAPK11MAPK13MAPK12MAPKAPK2

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
US-8173684-B2 Pyridone derivatives as p38α MAPK inhibitors ASTELLAS PHARMA INC. (JP) 2012-05-08 US disclosed
US-8173684-B2 Pyridone derivatives as p38α MAPK inhibitors ASTELLAS PHARMA INC. (JP) 2012-05-08 US disclosed
US-8173684-B2 Pyridone derivatives as p38α MAPK inhibitors ASTELLAS PHARMA INC. (JP) 2012-05-08 US disclosed
EP-2155683-B1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC (JP) 2011-03-16 EP disclosed
US-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC. (JP) 2010-03-11 US disclosed
US-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC. (JP) 2010-03-11 US disclosed
US-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC. (JP) 2010-03-11 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-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS MAPK1, MAPK6, MAPK3 KDM4E 1656/4885MEN1 4446/4885POLB 1844/4885

“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.