SCHEMBL1161053

SCHEMBL1161053

CCN1Cc2c(Nc3ccc(C)c(C(F)(F)F)c3)ccnc2NC1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.40
KDR P35968 10/20 0.37
BRAF P15056 1/20 0.34
HTT P42858 1/20 0.34
CLK1 P49759 1/20 0.34
FLT1 P17948 4/20 0.34
LRRK2 Q5S007 1/20 0.34
AURKA O14965 3/20 0.33
PDGFRB P09619 1/20 0.33
TNK2 Q07912 1/20 0.33
MAP4K2 Q12851 1/20 0.33
P2RX3 P56373 1/20 0.33

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
SCHEMBL11027546 0.87 TYK2 (0.42) KDRAURKAPDGFRB
SCHEMBL1160852 0.85 PTGS1 (0.38) KDRPDGFRB
SCHEMBL27862658 0.82 TAS2R14 (0.39) TAS2R14KDRBRAFHTTCLK1
SCHEMBL11029656 0.81 DHODH (0.41) TAS2R14LRRK2P2RX3
SCHEMBL1161157 0.81 IDH1 (0.42) HTTAURKA
SCHEMBL11029640 0.81 TAS2R14 (0.43) TAS2R14KDRBRAFFLT1AURKA
SCHEMBL11028473 0.80 PTK6 (0.36) KDRAURKAPDGFRB
SCHEMBL11026605 0.80 PTK6 (0.45) KDR
SCHEMBL11029512 0.80 CDK4 (0.40)
SCHEMBL11029277 0.79 EPHX2 (0.36) KDRPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569295-B2 Bicyclic urea compounds MERCK PATENT GMBH (DE) 2013-10-29 US disclosed
US-8569295-B2 Bicyclic urea compounds MERCK PATENT GMBH (DE) 2013-10-29 US disclosed
US-8569295-B2 Bicyclic urea compounds MERCK PATENT GMBH (DE) 2013-10-29 US disclosed
EP-2461869-B1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2013-08-21 EP disclosed
US-20120190654-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2012-07-26 US disclosed
US-20120190654-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2012-07-26 US disclosed
US-20120190654-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2012-07-26 US disclosed
EP-2461869-A1 NOVEL BICYCLIC UREA COMPOUNDS Merck Patent GmbH (DE) 2012-06-13 EP disclosed
WO-2011017142-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2011-02-10 WO disclosed
WO-2011017142-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2011-02-10 WO 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-20120190654-A1 NOVEL BICYCLIC UREA COMPOUNDS CCNC, CCNI, CCNA1 TAS2R14 3745/4885KDR 2655/4885BRAF 582/4885

“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.