SCHEMBL1504636

SCHEMBL1504636

CON(C(=O)c1ccc(Cl)c(NC(=O)c2ccc(=O)n(-c3c(F)cccc3F)c2)c1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.40
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC1 Q13547 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
MAPK11 Q15759 1/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPKAPK2 P49137 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34

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 0.81 MAPK14 (0.56) MAPK14CYP1A2CYP2D6CYP2C19HDAC1
SCHEMBL1504557 0.80 HDAC1 (0.45) MAPK14HDAC1HDAC8HDAC6MAPT
SCHEMBL1504640 0.78 MAPK14 (0.42) MAPK14CYP1A2CYP3A4CYP2C19HDAC1
SCHEMBL1504632 0.78 HDAC1 (0.48) CYP1A2CYP2C19HDAC1HDAC8HDAC6
SCHEMBL1504748 0.78 MGLL (0.44) MAPK14MAPTPOLBSMN1; SMN2
SCHEMBL1504459 0.78 MAPK14 (0.54) MAPK14CYP1A2CYP2D6CYP2C19MAPT
SCHEMBL1504507 0.77 HDAC1 (0.44) MAPK14CYP3A4CYP2C19HDAC1HDAC8
SCHEMBL1504401 0.74 NPC1 (0.47) MAPK14HDAC1HDAC8HDAC6MAPT
SCHEMBL1504581 0.74 MAPK14 (0.47) MAPK14CYP1A2CYP3A4HDAC1HDAC8
SCHEMBL1504713 0.73 HDAC1 (0.46) CYP1A2CYP3A4CYP2D6CYP2C19HDAC1

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 3 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
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

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 25/4885CYP1A2 182/4885CYP3A4 743/4885

“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.