SCHEMBL5575753

SCHEMBL5575753

CC(C)c1cc(NC(=O)Nc2ccc(Sc3ccncc3)cc2)on1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.49
RAF1 P04049 4/20 0.49
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
NAMPT P43490 1/20 0.42
MDM2 Q00987 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
BRAF P15056 1/20 0.41
FLT3 P36888 2/20 0.41
ROCK2 O75116 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP3A5 P20815 1/20 0.41
RAB9A P51151 1/20 0.40
RIPK2 O43353 1/20 0.40

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
SCHEMBL668121 0.89 MAPK14 (0.51) MAPK14RAF1ALDH1A1LMNAMEN1
SCHEMBL937763 0.83 RAF1 (0.70) MAPK14RAF1ALDH1A1LMNABRAF
SCHEMBL667588 0.82 RAF1 (0.72) MAPK14RAF1ALDH1A1FLT3RIPK2
SCHEMBL14402898 0.82 RAF1 (0.48) MAPK14RAF1MEN1KMT2ATAAR1
SCHEMBL5576199 0.79 RAF1 (0.58) MAPK14RAF1ALDH1A1NAMPTFLT3
SCHEMBL5575757 0.75 MAPK14 (0.48) MAPK14RAF1ALDH1A1LMNANAMPT
SCHEMBL668678 0.74 FLT3 (0.73) MAPK14RAF1MEN1KMT2AFLT3
SCHEMBL668123 0.74 MAPK14 (0.47) MAPK14RAF1ALDH1A1LMNANAMPT
SCHEMBL16870271 0.73 MAPK14 (0.55) MAPK14ALDH1A1MEN1KMT2ATAAR1
SCHEMBL14402939 0.73 RAF1 (0.49) MAPK14RAF1ALDH1A1MEN1KMT2A

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 11 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-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
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 (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-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF MAPK14 127/4885RAF1 2/4885ALDH1A1 2759/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF MAPK14 127/4885RAF1 2/4885ALDH1A1 2759/4885

“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.