SCHEMBL1504789

SCHEMBL1504789

O=C(Nc1cc(C(=O)NC2CC2)ccc1Br)c1ccc(=O)n(-c2c(F)cccc2F)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.47
MAPK11 Q15759 6/20 0.42
MAPKAPK2 P49137 2/20 0.42
MAPK13 O15264 1/20 0.42
RAF1 P04049 1/20 0.42
PDGFRA P16234 1/20 0.42
MAPK12 P53778 1/20 0.42
KCNH2 Q12809 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP1A2 P05177 1/20 0.41
HTR2B P41595 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
ROCK2 O75116 1/20 0.39
BRD4 O60885 1/20 0.39
KMT2A Q03164 1/20 0.39

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) MAPK14MAPK11MAPKAPK2MAPK13RAF1
SCHEMBL1504628 0.88 MAPK14 (0.46) MAPK14MAPK11MAPK13MAPK12HDAC1
SCHEMBL1504402 0.88 KMT2A (0.42) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL1504506 0.88 MAPK14 (0.56) MAPK14MAPK11MAPKAPK2MAPK13RAF1
SCHEMBL1504478 0.88 MAPK14 (0.56) MAPK14MAPK11MAPKAPK2MAPK13RAF1
SCHEMBL1504699 0.88 HDAC1 (0.46) HDAC1HDAC8HDAC6KMT2A
SCHEMBL1504471 0.87 MAPK14 (0.44) MAPK14MAPK11MAPK13MAPK12
SCHEMBL1504566 0.85 HDAC1 (0.49) HDAC1HDAC8HDAC6KMT2A
SCHEMBL1504459 0.85 MAPK14 (0.54) MAPK14MAPK11MAPKAPK2MAPK13RAF1
SCHEMBL1504668 0.83 HDAC1 (0.42) MAPK14HDAC1HDAC8HDAC6CYP1A2

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 MAPK14 25/4885MAPK11 33/4885MAPKAPK2 26/4885

“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.