SCHEMBL668629

SCHEMBL668629

CC(C)(C)c1cnc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 9/20 0.67
RIPK2 O43353 1/20 0.55
MAPK13 O15264 3/20 0.54
MAPT P10636 4/20 0.48
RAB9A P51151 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPK14 Q16539 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
BRAF P15056 1/20 0.48
KDR P35968 1/20 0.48
TNNI3K Q59H18 1/20 0.48
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL937074 0.80 RAF1 (1.00) RAF1RIPK2MAPK13MAPTRAB9A
SCHEMBL668358 0.79 CDK8 (0.57) RAF1MAPTRAB9AMEN1KMT2A
SCHEMBL668461 0.79 CDK8 (0.54) RAF1MAPTRAB9AMEN1KMT2A
SCHEMBL667633 0.79 RAF1 (0.62) RAF1RIPK2MAPK13MAPK14BRAF
SCHEMBL4366522 0.76 RPS6KB1 (0.58) RAF1RIPK2MAPK13MAPK14BRAF
SCHEMBL933695 0.74 RAF1 (0.80) RAF1RIPK2MAPK13MAPTRAB9A
SCHEMBL3176437 0.74 RAF1 (0.64) RAF1RIPK2MAPK13RAB9AMEN1
SCHEMBL24233128 0.73 CNR1 (0.57) RAF1MAPTRAB9AMEN1KMT2A
SCHEMBL5008981 0.73 RAF1 (0.71) RAF1RIPK2MAPK13MAPK14BRAF
SCHEMBL16870240 0.72 RAF1 (0.62) RAF1RIPK2MAPK13MAPTMAPK14

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 8 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-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US claimed
EP-1047418-B1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2005-07-27 EP claimed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
EP-1047418-B1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2005-07-27 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 (4 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 RAF1 155/4885RIPK2 792/4885MAPK13 32/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 RAF1 155/4885RIPK2 792/4885MAPK13 32/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF RAF1 2/4885RIPK2 483/4885MAPK13 90/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF RAF1 2/4885RIPK2 483/4885MAPK13 90/4885

“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.