SCHEMBL4235776

SCHEMBL4235776

CC(C)(C)c1cc(NC(=O)Nc2ccc3c(c2)OCO3)n(-c2ccc3c(c2)C(=O)NCC3)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.49
MAPK13 O15264 9/20 0.47
SRC P12931 1/20 0.46
SYK P43405 1/20 0.46
GSK3A P49840 1/20 0.46
PTK2 Q05397 5/20 0.46
PTK2B Q14289 1/20 0.46
MAPK12 P53778 7/20 0.45
MAPK11 Q15759 7/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C8 P10632 1/20 0.45
SAE1 Q9UBE0 1/20 0.44
MAPK9 P45984 1/20 0.44
DDR2 Q16832 1/20 0.44

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
SCHEMBL2083019 0.86 MAPK14 (0.61) MAPK14MAPK13SRCPTK2MAPK12
SCHEMBL4226640 0.85 MAPK14 (0.51) MAPK14MAPK13SRCSYKGSK3A
SCHEMBL2083779 0.81 MAPK14 (0.47) MAPK14MAPK13PTK2PTK2BMAPK12
SCHEMBL2083876 0.79 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2081460 0.79 MAPK14 (0.65) MAPK14MAPK13SRCMAPK12MAPK11
SCHEMBL2081735 0.79 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2082249 0.78 MAPK14 (0.64) MAPK14MAPK13PTK2PTK2BMAPK12
SCHEMBL2083944 0.78 MAPK14 (0.66) MAPK14MAPK11
SCHEMBL2079731 0.78 MAPK14 (0.66) MAPK14MAPK13SRCMAPK12MAPK11
SCHEMBL2082097 0.77 MAP3K7 (0.62) MAPK14MAPK13SRCMAPK12MAPK11

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
EP-1836173-A4 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS LLC (US) 2009-07-08 EP disclosed
EP-1836173-A2 ANTI-INFLAMMATORY MEDICAMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
WO-2006081034-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-08-03 WO 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 (2 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-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS ABL2, ABL1, PTK2 MAPK14 80/4885MAPK13 183/4885SRC 4/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 MAPK14 29/4885MAPK13 41/4885SRC 232/4885

“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.