SCHEMBL5899273

SCHEMBL5899273

O=C(Nc1ccc(Oc2ccc3nsnc3c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 3/20 0.63
▸ KDR P35968 9/20 0.63
▸ RAF1 P04049 8/20 0.63
▸ BRAF P15056 3/20 0.61
▸ CA7 P43166 2/20 0.61
▸ CA9 Q16790 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ PLK4 O00444 1/20 0.61
▸ CIT O14578 1/20 0.61
▸ AURKA O14965 1/20 0.61
▸ MUSK O15146 1/20 0.61
▸ EPHB6 O15197 1/20 0.61
▸ MAPK13 O15264 1/20 0.61
▸ MLNR O43193 1/20 0.61
▸ MAP3K7 O43318 1/20 0.61
▸ RIPK2 O43353 1/20 0.61
▸ DYRK3 O43781 1/20 0.61
▸ PDE6D O43924 1/20 0.61
▸ NR1I2 O75469 1/20 0.61
▸ STK10 O94804 1/20 0.61

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
SCHEMBL5899312 0.89 RAF1 (0.63) CDK8KDRRAF1BRAFCA7
SCHEMBL5899268 0.88 BRAF (0.61) CDK8KDRRAF1BRAFCA7
SCHEMBL15140972 0.86 RAF1 (0.70) CDK8KDRRAF1BRAFCA7
SCHEMBL936533 0.82 RAF1 (0.73) CDK8KDRRAF1BRAFCA7
SCHEMBL30462521 0.82 RAF1 (0.73) CDK8KDRRAF1BRAFCA7
SCHEMBL13556629 0.82 RAF1 (0.72) CDK8KDRRAF1BRAFCA7
SCHEMBL15140491 0.82 CDK8 (0.64) CDK8KDRRAF1BRAFCA7
SCHEMBL16507346 0.81 CDK8 (0.63) CDK8KDRRAF1BRAFCA7
SCHEMBL16628059 0.81 RAF1 (0.59) CDK8KDRRAF1BRAFCA7
SCHEMBL938819 0.81 KDR (0.70) CDK8KDRRAF1BRAFCA7

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.

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