SCHEMBL17547702

SCHEMBL17547702

CC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)cc2)ccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 12/20 0.63
KDR P35968 6/20 0.63
RET P07949 3/20 0.63
EPHX2 P34913 3/20 0.63
BRAF P15056 3/20 0.63
AURKB Q96GD4 2/20 0.63
GSK3B P49841 2/20 0.63
RIPK2 O43353 2/20 0.63
ABCB11 O95342 2/20 0.63
ABL1 P00519 2/20 0.63
HTR1A P08908 2/20 0.63
PDGFRB P09619 2/20 0.63
ADORA3 P0DMS8 2/20 0.63
KIT P10721 2/20 0.63
FGFR1 P11362 2/20 0.63
PDGFRA P16234 2/20 0.63
FLT1 P17948 2/20 0.63
MAOA P21397 2/20 0.63
EPHA1 P21709 2/20 0.63
TBXA2R P21731 2/20 0.63

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
SCHEMBL14680564 0.91 RAF1 (0.60) RAF1KDRRETEPHX2BRAF
SCHEMBL14680591 0.90 RAF1 (0.59) RAF1KDRRETEPHX2BRAF
SCHEMBL10324287 0.89 RAF1 (0.75) RAF1KDRRETEPHX2BRAF
SCHEMBL21596992 0.88 RAF1 (0.64) RAF1KDRRETEPHX2BRAF
SCHEMBL14550532 0.87 RAF1 (0.55) RAF1KDRRETEPHX2BRAF
SCHEMBL18016178 0.87 RAF1 (0.61) RAF1KDRRETEPHX2BRAF
SCHEMBL13946016 0.87 RAF1 (0.61) RAF1KDRRETEPHX2BRAF
SCHEMBL14550467 0.86 RAF1 (0.66) RAF1KDRRETEPHX2BRAF
SCHEMBL10000735 0.86 RAF1 (0.83) RAF1KDRRETEPHX2BRAF
SCHEMBL15370247 0.83 KDR (0.59) RAF1KDRRETEPHX2BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160058751-A1 COMPOSITION AND METHOD FOR TREATING CANCER CELLWORKS GROUP, INC. (US) 2016-03-03 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-20160058751-A1 COMPOSITION AND METHOD FOR TREATING CANCER KRAS, NRAS, TP53 RAF1 11/4885KDR 953/4885RET 27/4885

“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.