SCHEMBL3711970

SCHEMBL3711970

O=C(Nc1ccc(Oc2ccnc(Cl)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 8/20 0.77
KDR P35968 6/20 0.77
BRAF P15056 2/20 0.74
CDK8 P49336 2/20 0.74
FLT1 P17948 2/20 0.74
MEN1 O00255 1/20 0.74
PLK4 O00444 1/20 0.74
CIT O14578 1/20 0.74
AURKA O14965 1/20 0.74
MUSK O15146 1/20 0.74
EPHB6 O15197 1/20 0.74
MAPK13 O15264 1/20 0.74
MLNR O43193 1/20 0.74
MAP3K7 O43318 1/20 0.74
RIPK2 O43353 1/20 0.74
DYRK3 O43781 1/20 0.74
PDE6D O43924 1/20 0.74
NR1I2 O75469 1/20 0.74
STK10 O94804 1/20 0.74
CDK14 O94921 1/20 0.74

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
SCHEMBL29543439 0.89 RAF1 (0.75) RAF1KDRBRAFCDK8FLT1
SCHEMBL12848167 0.89 RAF1 (0.75) RAF1KDRBRAFCDK8FLT1
SCHEMBL4344749 0.89 RAF1 (0.78) RAF1KDRBRAFCDK8FLT1
SCHEMBL30462521 0.89 RAF1 (0.73) RAF1KDRBRAFCDK8FLT1
SCHEMBL936533 0.89 RAF1 (0.73) RAF1KDRBRAFCDK8FLT1
SCHEMBL10000735 0.88 RAF1 (0.83) RAF1KDRBRAFCDK8FLT1
SCHEMBL28948534 0.88 RAF1 (0.83) RAF1KDRBRAFCDK8FLT1
SCHEMBL29793192 0.88 RAF1 (0.83) RAF1KDRBRAFCDK8FLT1
SCHEMBL3408499 0.88 RAF1 (0.83) RAF1KDRBRAFCDK8FLT1
SCHEMBL24950335 0.87 RAF1 (0.72) RAF1KDRBRAFCDK8FLT1

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-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2011-03-17 US disclosed
EP-2220042-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2010-08-25 EP disclosed
WO-2009063054-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2009-05-22 WO disclosed
EP-2060565-A1 Novel bifunctional compounds which inhibit protein kinases and histone deacetylases 4SC AG (DE) 2009-05-20 EP 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-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES HDAC1, HDAC11, MAP2K2 RAF1 203/4885KDR 2658/4885BRAF 258/4885

“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.