SCHEMBL5575765

SCHEMBL5575765

CNC(=O)c1ccnc(-c2ccsc2NC(=O)Nc2cc(C(C)(C)C)no2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
MAPK14 Q16539 9/20 0.44
RAF1 P04049 2/20 0.43
MAPK13 O15264 2/20 0.42
NTRK1 P04629 2/20 0.38
RPS6KA2 Q15349 1/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
RET P07949 1/20 0.37
EPHB2 P29323 1/20 0.37
KDR P35968 1/20 0.37
BRAF P15056 2/20 0.37
FLT3 P36888 1/20 0.36
CSF1R P07333 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL5571935 0.86 ALDH1A1 (0.47) ALDH1A1MAPK14RAF1MAPK13NTRK1
SCHEMBL5575756 0.84 RAF1 (0.52) MAPK14RAF1RETKDRFLT3
SCHEMBL5575770 0.78 RAF1 (0.56) ALDH1A1MAPK14RAF1MAPK13NTRK1
SCHEMBL5575094 0.73 RAF1 (0.66) ALDH1A1MAPK14RAF1MAPK13NTRK1
SCHEMBL2477815 0.72 MAPT (0.48) NTRK1
SCHEMBL5575779 0.71 BRAF (0.57) ALDH1A1MAPK14RAF1MAPK13BRAF
SCHEMBL10804133 0.70 ALDH1A1 (1.00) ALDH1A1MAPK14RAF1MAPK13NTRK1
SCHEMBL668594 0.69 MAPK14 (0.51) ALDH1A1MAPK14RAF1MAPK13NTRK1
SCHEMBL5575736 0.69 RAF1 (0.45) ALDH1A1MAPK14RAF1MAPK13NTRK1
SCHEMBL17688884 0.66 LMNA (0.66) ALDH1A1RAF1BRAF

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 12 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
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 (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 ALDH1A1 2759/4885MAPK14 127/4885RAF1 2/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF ALDH1A1 2759/4885MAPK14 127/4885RAF1 2/4885

“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.