SCHEMBL668091

SCHEMBL668091

CC(C)(C)c1cc(NC(=O)Nc2sccc2-c2ccncc2)no1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.56
RAF1 P04049 4/20 0.55
RIPK2 O43353 1/20 0.55
RAB9A P51151 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 2/20 0.52
MAPK14 Q16539 4/20 0.52
MAPK13 O15264 1/20 0.52
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RIPK1 Q13546 1/20 0.48
CSF1R P07333 1/20 0.47
ATM Q13315 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL668568 0.85 FLT3 (0.50) FLT3RAF1RIPK2RAB9AMEN1
SCHEMBL5575770 0.81 RAF1 (0.56) FLT3RAF1MAPK14MAPK13CSF1R
SCHEMBL668744 0.80 RAF1 (0.59) FLT3RAF1RIPK2RAB9AMEN1
SCHEMBL5788353 0.80 RAF1 (0.60) FLT3RAF1RIPK2RAB9AMEN1
SCHEMBL13234454 0.78 FLT3 (0.83) FLT3RAF1RIPK2RAB9AMEN1
SCHEMBL5575756 0.78 RAF1 (0.52) FLT3RAF1RAB9AMEN1KMT2A
SCHEMBL6049545 0.78 GAPDH (0.45) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL2951112 0.76 RAB9A (0.77) FLT3RAF1RAB9AMEN1KMT2A
SCHEMBL668594 0.76 MAPK14 (0.51) RAF1MAPK14MAPK13KDR
SCHEMBL5575736 0.76 RAF1 (0.45) RAF1MAPK14MAPK13KDR

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 14 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
JP-4403482-B2 2010-01-27 JP claimed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US claimed
EP-1041982-A4 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-14 EP claimed
EP-1047418-B1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2005-07-27 EP claimed
JP-2001526223-A 2001-12-18 JP claimed
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP claimed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO 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
EP-1047418-B1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2005-07-27 EP disclosed
CN-1544420-A Inhibition of raf kinase using substituted heterocyclic ureas 2004-11-10 CN 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 FLT3 167/4885RAF1 155/4885RIPK2 792/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 FLT3 167/4885RAF1 155/4885RIPK2 792/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF FLT3 131/4885RAF1 2/4885RIPK2 483/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF FLT3 131/4885RAF1 2/4885RIPK2 483/4885

“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.