SCHEMBL6479003

SCHEMBL6479003

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc4c(c3)C(F)(F)OC(F)(F)O4)c(S(C)(=O)=O)c2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 0.48
BRAF P15056 8/20 0.48
KDR P35968 5/20 0.48
MAPK14 Q16539 5/20 0.48
EPHX2 P34913 4/20 0.48
ABL1 P00519 4/20 0.48
RET P07949 4/20 0.48
RIPK2 O43353 3/20 0.48
EPHA2 P29317 3/20 0.48
MAP3K20 Q9NYL2 3/20 0.48
ABCB11 O95342 2/20 0.48
HTR1A P08908 2/20 0.48
PDGFRB P09619 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
KIT P10721 2/20 0.48
FGFR1 P11362 2/20 0.48
PDGFRA P16234 2/20 0.48
FLT1 P17948 2/20 0.48
MAOA P21397 2/20 0.48
EPHA1 P21709 2/20 0.48

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
SCHEMBL6473984 0.89 RAF1 (0.61) RAF1BRAFKDRMAPK14EPHX2
SCHEMBL6382098 0.89 RAF1 (0.51) RAF1BRAFKDRMAPK14EPHX2
SCHEMBL6384240 0.89 RAF1 (0.60) RAF1BRAFKDRMAPK14EPHX2
SCHEMBL6383754 0.88 RAF1 (0.56) RAF1BRAFKDRMAPK14EPHX2
SCHEMBL6446742 0.87 RIPK2 (0.51) RAF1BRAFKDRMAPK14EPHX2
SCHEMBL3366820 0.87 KDR (0.44) BRAFKDRKIT
SCHEMBL6383189 0.87 RAF1 (0.56) RAF1BRAFKDRMAPK14EPHX2
SCHEMBL16507653 0.86 RAF1 (0.45) RAF1BRAFKDR
SCHEMBL6473443 0.86 RAF1 (0.48) RAF1BRAFKDRMAPK14EPHX2
SCHEMBL6384112 0.86 RET (0.59) RAF1BRAFKDRMAPK14EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 US claimed
US-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2005-02-17 US claimed
US-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 US disclosed
US-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2005-02-17 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 (1 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-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders CCNC, UACA, SLC14A1 RAF1 1822/4885BRAF 501/4885KDR 502/4885

“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.