SCHEMBL1504640

SCHEMBL1504640

O=C(NOCC1CC1)c1ccc(Cl)c(NC(=O)c2ccc(=O)n(-c3c(F)cccc3F)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MAP2K1 Q02750 5/20 0.40
RAF1 P04049 1/20 0.40
PDGFRB P09619 1/20 0.40
CSNK2A2 P19784 1/20 0.40
MAP2K2 P36507 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
AURKC Q9UQB9 1/20 0.40
CAMK2A Q9UQM7 1/20 0.40
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC8 Q9BY41 4/20 0.37

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
SCHEMBL1504506 0.83 MAPK14 (0.56) MAPK14RAF1CYP1A2KMT2AHDAC1
SCHEMBL1504557 0.81 HDAC1 (0.45) MAPK14KMT2AHDAC1HDAC8HDAC6
SCHEMBL1504632 0.80 HDAC1 (0.48) CYP1A2KMT2AHDAC1HDAC8HDAC6
SCHEMBL1504459 0.80 MAPK14 (0.54) MAPK14RAF1CYP1A2KMT2AF10
SCHEMBL1504636 0.78 MAPK14 (0.40) MAPK14CYP1A2CYP3A4HDAC1HDAC8
SCHEMBL1504748 0.78 MGLL (0.44) MAPK14KMT2AMAPT
SCHEMBL1504507 0.77 HDAC1 (0.44) MAPK14CYP3A4KMT2AHDAC1HDAC8
SCHEMBL1504713 0.75 HDAC1 (0.46) PDE4DCYP1A2CYP3A4KMT2AHDAC1
SCHEMBL1504401 0.75 NPC1 (0.47) MAPK14PDE4BPDE4DHDAC1HDAC8
SCHEMBL1504581 0.75 MAPK14 (0.47) MAPK14CYP1A2CYP3A4KMT2AHDAC1

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 25/4885PDE4A 1027/4885PDE4B 1180/4885

“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.