SCHEMBL8737814

SCHEMBL8737814

CCNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3nnc(C(C)(C)C)o3)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 15/20 0.67
MTNR1B P49286 1/20 0.49
FLT1 P17948 1/20 0.47
KDR P35968 1/20 0.47
MAPK14 Q16539 2/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
OPRK1 P41145 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL14402931 0.93 RAF1 (0.68) RAF1MTNR1BMAPK14MAPK13MAPK12
SCHEMBL8736853 0.90 RAF1 (0.66) RAF1KDRMAPK14MAPK13MAPK12
SCHEMBL8737812 0.88 RAF1 (0.69) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL1846785 0.80 RAF1 (0.64) RAF1MTNR1BMAPK14MAPK13MAPK12
SCHEMBL1846663 0.80 RAF1 (0.61) RAF1MTNR1BMAPK14MAPK13MAPK12
SCHEMBL1846665 0.79 RAF1 (0.62) RAF1MTNR1BMAPK14MAPK13MAPK12
SCHEMBL1846781 0.78 RAF1 (0.63) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL938435 0.78 RAF1 (1.00) RAF1KDRMAPK14MAPK13MAPK12
SCHEMBL1847102 0.78 RAF1 (0.60) RAF1MTNR1BMAPK14MAPK13MAPK12
SCHEMBL1847101 0.76 RAF1 (0.60) RAF1MTNR1BMAPK14MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US 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 2/4885MTNR1B 4788/4885FLT1 903/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF RAF1 2/4885MTNR1B 4788/4885FLT1 903/4885

“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.