SCHEMBL5573447

SCHEMBL5573447

CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)no1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 17/20 1.00
MAPK13 O15264 1/20 1.00
MAPK12 P53778 1/20 1.00
MAPK11 Q15759 1/20 1.00
MAPK14 Q16539 1/20 1.00
RIPK2 O43353 1/20 0.80
MEN1 O00255 1/20 0.79
NPC1 O15118 1/20 0.79
RAB9A P51151 1/20 0.79
KMT2A Q03164 1/20 0.79
FLT3 P36888 2/20 0.72

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
SCHEMBL5576394 0.91 RAF1 (0.83) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL667238 0.91 RAF1 (1.00) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL668361 0.90 RAF1 (0.82) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL667581 0.90 RAF1 (0.85) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL668459 0.89 RAF1 (1.00) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL667817 0.89 RAF1 (0.80) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL939517 0.89 RAF1 (0.80) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL2518089 0.88 MEN1 (1.00) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5576422 0.88 RAF1 (0.83) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL668805 0.88 RAF1 (0.79) RAF1MAPK13MAPK12MAPK11MAPK14

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1047418-A4 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2001-02-07 EP claimed
EP-1047418-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-11-02 EP claimed
WO-1999032106-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO claimed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 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
CN-1544420-A Inhibition of raf kinase using substituted heterocyclic ureas 2004-11-10 CN disclosed
EP-1047418-A4 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2001-02-07 EP disclosed
EP-1047418-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-11-02 EP disclosed
WO-1999032106-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 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 (3 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-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS ABL1, ABL2, BCR RAF1 372/4885MAPK13 1519/4885MAPK12 1372/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF RAF1 2/4885MAPK13 90/4885MAPK12 245/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF RAF1 2/4885MAPK13 90/4885MAPK12 245/4885

“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.