SCHEMBL1504402

SCHEMBL1504402

O=C(Nc1cc(C(=O)NC2CC2)ccc1Br)c1ccc(=O)n(-c2c(Cl)cccc2Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPK14 Q16539 9/20 0.42
MAPK11 Q15759 8/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK8 P45983 1/20 0.38
MAPK10 P53779 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
SCHEMBL2673907 0.94 MAPK14 (0.48) KMT2AKDM4EMEN1POLBMAPT
SCHEMBL1504630 0.91 KDM4E (0.52) KMT2AKDM4EMEN1POLBMAPT
SCHEMBL1504628 0.88 MAPK14 (0.46) MAPK1MAPK14MAPK11MAPK13MAPK12
SCHEMBL1504173 0.88 MAPK14 (0.55) MAPK14MAPK11MAPK13MAPK12
SCHEMBL1504789 0.88 MAPK14 (0.47) KMT2AMAPK14MAPK11MAPK13MAPK12
SCHEMBL1504667 0.85 HDAC1 (0.49) KMT2AMEN1MAPTHDAC1HDAC8
SCHEMBL1504459 0.85 MAPK14 (0.54) KMT2AKDM4EMEN1POLBMAPT
SCHEMBL1504642 0.83 KMT2A (0.51) KMT2AMEN1MAPTMAPK14
SCHEMBL1504471 0.83 MAPK14 (0.44) MAPK14MAPK11MAPK13MAPK12
SCHEMBL1504506 0.82 MAPK14 (0.56) KMT2AKDM4EMEN1POLBMAPT

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 KMT2A 338/4885KDM4E 1656/4885MEN1 4446/4885

“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.