SCHEMBL668430

SCHEMBL668430

Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2ccncc2)c(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.65
MAPK13 O15264 2/20 0.61
MAPK11 Q15759 2/20 0.61
RAF1 P04049 1/20 0.61
ERBB2 P04626 1/20 0.61
MAPT P10636 2/20 0.56
MAPK12 P53778 1/20 0.56
PTK2 Q05397 1/20 0.53
LMNA P02545 1/20 0.52
S1PR1 P21453 1/20 0.52
S1PR3 Q99500 1/20 0.52

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
SCHEMBL668429 0.85 MAPK14 (0.73) MAPK14MAPK13MAPK11RAF1ERBB2
SCHEMBL667387 0.78 MAPK14 (1.00) MAPK14MAPK13MAPK11RAF1ERBB2
SCHEMBL667805 0.76 FLT3 (0.62) MAPK14MAPK13MAPK11RAF1MAPK12
SCHEMBL524524 0.76 MAPK14 (1.00) MAPK14MAPK13MAPK11RAF1ERBB2
SCHEMBL667587 0.76 MAPK13 (1.00) MAPK14MAPK13MAPK11RAF1ERBB2
SCHEMBL8115699 0.76 S1PR1 (0.55) S1PR1S1PR3
SCHEMBL667134 0.76 MAPK14 (0.59) MAPK14MAPK13MAPK11RAF1ERBB2
SCHEMBL13235035 0.75 MAPK14 (0.76) MAPK14MAPK13MAPK11RAF1ERBB2
SCHEMBL667132 0.75 MAPK14 (0.80) MAPK14MAPK13MAPK11RAF1ERBB2
SCHEMBL25735854 0.75 MAPK14 (0.85) MAPK14MAPK13MAPK11RAF1ERBB2

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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US claimed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US claimed
EP-1041982-B1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC (US) 2011-10-19 EP claimed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
EP-1041982-B1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC (US) 2011-10-19 EP 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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 MAPK14 31/4885MAPK13 32/4885MAPK11 42/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 MAPK14 31/4885MAPK13 32/4885MAPK11 42/4885

“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.