SCHEMBL1504637

SCHEMBL1504637

O=C(Nc1cc(C(=O)Nc2ccnn2-c2ccccc2)ccc1Cl)c1ccc(=O)n(-c2c(Cl)cccc2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.44
HDAC1 Q13547 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42
GRM5 P41594 3/20 0.41
LMNA P02545 1/20 0.40
F10 P00742 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NTRK1 P04629 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
SCHEMBL1504004 0.86 MAPK8 (0.50) MAPK14HDAC1HDAC8HDAC6MAPK8
SCHEMBL1504536 0.82 CYP1A2 (0.53) HDAC1HDAC8HDAC6LMNAF10
SCHEMBL1504505 0.81 HDAC1 (0.48) HDAC1HDAC8HDAC6LMNAF10
SCHEMBL1504581 0.78 MAPK14 (0.47) MAPK14HDAC1HDAC8HDAC6MAPK8
SCHEMBL1504516 0.77 SMN1; SMN2 (0.52) MAPK14HDAC1HDAC8HDAC6RAB9A
SCHEMBL1504540 0.77 NPC1 (0.52) LMNAF10NPC1MEN1KMT2A
SCHEMBL1504713 0.77 HDAC1 (0.46) HDAC1HDAC8HDAC6LMNAF10
SCHEMBL1504630 0.76 KDM4E (0.52) MAPK14HDAC1HDAC8HDAC6F10
SCHEMBL1504561 0.75 NPC1 (0.50) HDAC1HDAC8HDAC6MAPK8MAPK10
SCHEMBL1504507 0.75 HDAC1 (0.44) MAPK14HDAC1HDAC8HDAC6F10

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 25/4885HDAC1 777/4885HDAC8 1531/4885

“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.