SCHEMBL1504498

SCHEMBL1504498

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(C)c(N)c2)cc1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.79
PTK2 Q05397 11/20 0.72
CYP2D6 P10635 2/20 0.72
CYP2C9 P11712 2/20 0.72
MAPK13 O15264 6/20 0.71
MAPK12 P53778 5/20 0.71
MAPK11 Q15759 5/20 0.71
CYP2C8 P10632 1/20 0.65
CDK8 P49336 1/20 0.64

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
SCHEMBL13741201 0.89 MAPK14 (1.00) MAPK14PTK2CYP2D6CYP2C9MAPK13
SCHEMBL5474153 0.88 MAPK14 (0.88) MAPK14PTK2CYP2D6CYP2C9MAPK13
Hydrochloric Acid SCHEMBL3533699 0.87 MAPK14 (0.86) MAPK14PTK2CYP2D6CYP2C9MAPK13
SCHEMBL3533400 0.86 MAPK14 (0.95) MAPK14PTK2CYP2D6CYP2C9MAPK13
SCHEMBL13234634 0.84 MAPK14 (0.91) MAPK14PTK2CYP2D6CYP2C9MAPK13
SCHEMBL12779031 0.83 CDK8 (0.65) MAPK14PTK2CYP2D6CYP2C9MAPK13
SCHEMBL1504562 0.83 MAPK14 (0.72) MAPK14PTK2CYP2D6CYP2C9MAPK13
SCHEMBL12245421 0.83 MAPK14 (0.88) MAPK14PTK2CYP2D6CYP2C9MAPK13
SCHEMBL18324914 0.83 MAPK14 (1.00) MAPK14PTK2CYP2D6CYP2C9MAPK13
SCHEMBL2951313 0.81 MAPK14 (0.84) MAPK14PTK2CYP2D6CYP2C9MAPK13

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 6 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-B8 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC (JP) 2011-09-21 EP 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
EP-2155683-A2 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS Astellas Pharma Inc. (JP) 2010-02-24 EP disclosed
WO-2008140066-A2 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC. (JP) 2008-11-20 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 (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 25/4885PTK2 391/4885CYP2D6 283/4885

“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.