SCHEMBL1504401

SCHEMBL1504401

Cn1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3ccc(=O)n(-c4c(F)cccc4F)c3)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MAPK8 P45983 1/20 0.46
MAPK10 P53779 1/20 0.46
MAPK7 Q13164 1/20 0.44
MAPK14 Q16539 1/20 0.43
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
ACSS2 Q9NR19 1/20 0.41
EGFR P00533 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GCK P35557 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL1504561 0.92 NPC1 (0.50) NPC1RAB9AMAPK8MAPK10MAPK7
SCHEMBL1504532 0.90 NPC1 (0.51) NPC1RAB9AMAPK8MAPK10MAPK14
SCHEMBL1504645 0.89 NPC1 (0.47) NPC1RAB9AMAPK8MAPK10MAPK7
SCHEMBL1504557 0.82 HDAC1 (0.45) NPC1MAPK14MAPTTP53HDAC1
SCHEMBL1504581 0.82 MAPK14 (0.47) RAB9AMAPK8MAPK10MAPK14MAPT
SCHEMBL1504632 0.82 HDAC1 (0.48) MAPTTP53HDAC1HDAC8HDAC6
SCHEMBL1504506 0.79 MAPK14 (0.56) MAPK14MAPTHDAC1HDAC8HDAC6
SCHEMBL1504507 0.79 HDAC1 (0.44) MAPK14MAPTTP53SMN1; SMN2HDAC1
SCHEMBL1504459 0.76 MAPK14 (0.54) MAPK14MAPTTP53
SCHEMBL1504640 0.75 MAPK14 (0.42) RAB9AMAPK14MAPTTP53PDE4B

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 NPC1 4090/4885RAB9A 1797/4885MAPK8 22/4885

“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.