SCHEMBL668358

SCHEMBL668358

Cc1ccc(Oc2cccc(NC(=O)Nc3ncc(C(C)(C)C)s3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 10/20 0.57
RAF1 P04049 5/20 0.47
MAPK14 Q16539 1/20 0.46
IDH1 O75874 1/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
BRAF P15056 1/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
STAT1 P42224 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL668461 0.92 CDK8 (0.54) CDK8RAF1LMNAMAPTHTT
SCHEMBL668629 0.79 RAF1 (0.67) RAF1MAPK14LMNAMAPTHTT
SCHEMBL5571949 0.74 RAF1 (0.46) CDK8RAF1MAPTMEN1KMT2A
SCHEMBL29996559 0.73 CDK8 (1.00) CDK8
SCHEMBL28863253 0.73 CDK8 (1.00) CDK8
SCHEMBL5783136 0.72 CCNE1 (0.75) MAPTSMN1; SMN2
SCHEMBL14384846 0.71 MTNR1A (0.64) CDK8LMNAMAPTHTTSMN1; SMN2
SCHEMBL12330773 0.71 CDK8 (0.51) CDK8RAF1IDH1LMNAMAPT
SCHEMBL4092538 0.70 CDK8 (0.58) CDK8RAF1LMNAMAPTHTT
SCHEMBL6286205 0.70 RAB9A (0.62) CDK8LMNAMAPTHTTSMN1; SMN2

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 3 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-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

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 CDK8 137/4885RAF1 155/4885MAPK14 31/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 CDK8 137/4885RAF1 155/4885MAPK14 31/4885

“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.