SCHEMBL6472882

SCHEMBL6472882

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cnc4ccccc4n3)c(F)c2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.59
RIPK2 O43353 2/20 0.58
BRAF P15056 12/20 0.58
RAF1 P04049 7/20 0.58
KDR P35968 4/20 0.58
RET P07949 3/20 0.58
MAPK14 Q16539 3/20 0.58
MAP3K20 Q9NYL2 3/20 0.58
KIT P10721 2/20 0.58
BCR P11274 2/20 0.58
FGFR1 P11362 2/20 0.58
PDGFRA P16234 2/20 0.58
FLT1 P17948 2/20 0.58
EPHA1 P21709 2/20 0.58
TTK P33981 2/20 0.58
FLT4 P35916 2/20 0.58
FLT3 P36888 2/20 0.58
MAPKAPK2 P49137 2/20 0.58
CLK1 P49759 2/20 0.58
LIMK1 P53667 2/20 0.58

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
SCHEMBL14911164 0.86 ABL1 (0.73) ABL1RIPK2BRAFRAF1KDR
SCHEMBL19888749 0.85 ABL1 (0.67) ABL1RIPK2BRAFRAF1KDR
SCHEMBL19888732 0.84 RIPK2 (0.70) ABL1RIPK2BRAFRAF1KDR
SCHEMBL19888717 0.82 ABL1 (0.65) ABL1RIPK2BRAFRAF1KDR
SCHEMBL6473839 0.80 RAF1 (0.70) ABL1RIPK2BRAFRAF1KDR
SCHEMBL19878466 0.80 RAF1 (0.72) ABL1RIPK2BRAFRAF1KDR
SCHEMBL19888733 0.80 ABL1 (0.65) ABL1RIPK2BRAFRAF1KDR
SCHEMBL19888723 0.80 ABL1 (0.59) ABL1RIPK2BRAFRAF1KDR
SCHEMBL19888742 0.79 KDR (0.69) ABL1RIPK2BRAFRAF1KDR
SCHEMBL14923005 0.79 ABL1 (0.63) ABL1RIPK2BRAFRAF1KDR

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 6 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-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 US disclosed
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 ABL1 1101/4885RIPK2 3802/4885BRAF 501/4885

“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.