SCHEMBL5899269

SCHEMBL5899269

COc1ccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 5/20 0.74
KDR P35968 8/20 0.65
RAF1 P04049 8/20 0.62
BRAF P15056 3/20 0.62
MEN1 O00255 1/20 0.62
PLK4 O00444 1/20 0.62
CIT O14578 1/20 0.62
AURKA O14965 1/20 0.62
MUSK O15146 1/20 0.62
EPHB6 O15197 1/20 0.62
MAPK13 O15264 1/20 0.62
MLNR O43193 1/20 0.62
MAP3K7 O43318 1/20 0.62
RIPK2 O43353 1/20 0.62
DYRK3 O43781 1/20 0.62
PDE6D O43924 1/20 0.62
NR1I2 O75469 1/20 0.62
STK10 O94804 1/20 0.62
CDK14 O94921 1/20 0.62
ABCB11 O95342 1/20 0.62

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
SCHEMBL938819 0.87 KDR (0.70) CDK8KDRRAF1BRAFMEN1
SCHEMBL619479 0.87 CDK8 (0.73) CDK8KDRRAF1BRAFMEN1
SCHEMBL28863201 0.85 CDK8 (1.00) CDK8KDRRAF1BRAFMEN1
SCHEMBL621120 0.85 KDR (0.64) CDK8KDRRAF1BRAFMEN1
SCHEMBL620425 0.84 RAF1 (0.79) CDK8KDRRAF1BRAFMEN1
SCHEMBL16507498 0.84 CDK8 (0.61) CDK8KDRRAF1BRAFMEN1
SCHEMBL12319881 0.83 KDR (0.76) CDK8KDRRAF1BRAFMEN1
SCHEMBL281870 0.83 KDR (0.69) CDK8KDRRAF1BRAFMEN1
SCHEMBL3183187 0.82 NPC1 (0.80) CDK8KDRRAF1BRAFPLK4
SCHEMBL16621285 0.82 RAF1 (0.69) CDK8KDRRAF1BRAFMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060241301-A1 Urea derivatives and their use as tyrosinkinase inhibitors MERCK PATENT GMBH (DE) 2006-10-26 US claimed
US-20060241301-A1 Urea derivatives and their use as tyrosinkinase inhibitors MERCK PATENT GMBH (DE) 2006-10-26 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-20060241301-A1 Urea derivatives and their use as tyrosinkinase inhibitors TIE1, UCK2, UTS2R CDK8 243/4885KDR 45/4885RAF1 84/4885

“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.