SCHEMBL5576204

SCHEMBL5576204

CCC(C)(C)c1cc(NC(=O)Nc2cc(-c3ccncc3)cs2)on1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.53
RAF1 P04049 3/20 0.47
MAPK13 O15264 1/20 0.46
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.41
PRKACA P17612 1/20 0.41
ROCK1 Q13464 1/20 0.41
NTRK1 P04629 1/20 0.38
RET P07949 1/20 0.38
EPHB2 P29323 1/20 0.38
KDR P35968 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.35
GPR142 Q7Z601 1/20 0.35
FLT3 P36888 1/20 0.35
NAMPT P43490 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL667590 0.89 RAF1 (0.58) MAPK14RAF1MAPK13ALDH1A1CYP3A4
SCHEMBL668594 0.82 MAPK14 (0.51) MAPK14RAF1MAPK13ALDH1A1NTRK1
SCHEMBL5575757 0.79 MAPK14 (0.48) MAPK14RAF1MAPK13ALDH1A1CYP3A4
SCHEMBL5576199 0.78 RAF1 (0.58) MAPK14RAF1MAPK13ALDH1A1NTRK1
SCHEMBL669081 0.77 RAF1 (0.60) MAPK14RAF1MAPK13ALDH1A1NAMPT
SCHEMBL938751 0.76 RAF1 (0.80) MAPK14RAF1MAPK13NTRK1RET
SCHEMBL27589600 0.76 MAPK14 (0.48) MAPK14RAF1MAPK13ALDH1A1NTRK1
SCHEMBL668744 0.75 RAF1 (0.59) MAPK14RAF1MAPK13KDRFLT3
SCHEMBL668592 0.75 MAPK14 (0.55) MAPK14RAF1MAPK13ALDH1A1NTRK1
SCHEMBL5571956 0.74 RAF1 (0.43) MAPK14RAF1MAPK13ALDH1A1CYP3A4

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 9 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

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 2/4885MAPK13 90/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF MAPK14 127/4885RAF1 2/4885MAPK13 90/4885

“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.