SCHEMBL1504645

SCHEMBL1504645

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
ACSS2 Q9NR19 1/20 0.41
GCK P35557 4/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
NTRK1 P04629 2/20 0.37
RPS6KA3 P51812 1/20 0.37
RPS6KA2 Q15349 1/20 0.37
MAPK14 Q16539 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 1/20 0.36
BCHE P06276 1/20 0.36
MAPK7 Q13164 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL1504532 0.90 NPC1 (0.51) NPC1RAB9AACSS2GCKHDAC1
SCHEMBL1504401 0.89 NPC1 (0.47) NPC1RAB9AACSS2GCKHDAC1
SCHEMBL1504662 0.83 MAPK14 (0.47) RAB9AHDAC1HDAC8HDAC6MAPK14
SCHEMBL1504764 0.83 HDAC1 (0.39) NPC1RAB9AHDAC1HDAC8HDAC6
SCHEMBL1504699 0.82 HDAC1 (0.46) NPC1RAB9AHDAC1HDAC8HDAC6
SCHEMBL1504668 0.82 HDAC1 (0.42) NPC1RAB9AHDAC1HDAC8HDAC6
SCHEMBL1504703 0.82 MAPK14 (0.47) RAB9AHDAC1HDAC8HDAC6MAPK8
SCHEMBL1504566 0.82 HDAC1 (0.49) NPC1RAB9AHDAC1HDAC8HDAC6
SCHEMBL1504561 0.80 NPC1 (0.50) NPC1RAB9AHDAC1HDAC8HDAC6
SCHEMBL1504789 0.79 MAPK14 (0.47) HDAC1HDAC8HDAC6MAPK14KMT2A

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 1797/4885ACSS2 2275/4885

“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.