SCHEMBL5576199

SCHEMBL5576199

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

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.58
MAPK14 Q16539 9/20 0.54
NTRK1 P04629 1/20 0.45
RET P07949 1/20 0.45
EPHB2 P29323 1/20 0.45
KDR P35968 1/20 0.45
MAPK13 O15264 1/20 0.45
ALDH1A1 P00352 1/20 0.43
FLT3 P36888 2/20 0.42
RAB9A P51151 1/20 0.41
RIPK2 O43353 1/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL668592 0.90 MAPK14 (0.55) RAF1MAPK14NTRK1MAPK13ALDH1A1
SCHEMBL937126 0.89 MAPK14 (0.49) RAF1MAPK14NTRK1RETEPHB2
SCHEMBL667588 0.89 RAF1 (0.72) RAF1MAPK14NTRK1RETEPHB2
SCHEMBL669081 0.86 RAF1 (0.60) RAF1MAPK14MAPK13ALDH1A1RAB9A
SCHEMBL938751 0.85 RAF1 (0.80) RAF1MAPK14NTRK1RETEPHB2
SCHEMBL5571965 0.82 BRAF (0.53) RAF1MAPK14MAPK13ALDH1A1
SCHEMBL5575753 0.79 MAPK14 (0.49) RAF1MAPK14ALDH1A1FLT3RAB9A
SCHEMBL5575766 0.79 RAF1 (0.61) RAF1MAPK14NTRK1RETEPHB2
SCHEMBL5576204 0.78 MAPK14 (0.53) RAF1MAPK14NTRK1RETEPHB2
SCHEMBL14402898 0.78 RAF1 (0.48) RAF1MAPK14FLT3RAB9ARIPK2

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-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-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 RAF1 2/4885MAPK14 127/4885NTRK1 609/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF RAF1 2/4885MAPK14 127/4885NTRK1 609/4885

“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.