SCHEMBL1160829

SCHEMBL1160829

CCN1Cc2c(Oc3ccc(C#N)cc3)ccnc2NC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
MMP14 P50281 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CYP11B1 P15538 4/20 0.36
CYP11B2 P19099 4/20 0.36
PGR P06401 1/20 0.36
ESRRA P11474 1/20 0.36
IDH1 O75874 1/20 0.35
ALK Q9UM73 1/20 0.35
CARM1 Q86X55 1/20 0.35
SCN7A Q01118 1/20 0.35
KCNH2 Q12809 1/20 0.35
FGFR1 P11362 1/20 0.35
SLC6A4 P31645 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1161241 0.89 HTR2C (0.40) RAF1BRAFCYP11B1CYP11B2
SCHEMBL11027734 0.87 IDH1 (0.39) RAF1BRAFMMP14IDH1MEN1
SCHEMBL11029321 0.87 IDH1 (0.43) RAF1BRAFMMP14IDH1ALDH1A1
SCHEMBL11031849 0.86 IDH1 (0.40) RAF1BRAFMMP14IDH1
SCHEMBL1160958 0.86 IDH1 (0.47) RAF1BRAFMMP14PGRIDH1
SCHEMBL12873243 0.86 AURKA (0.42) RAF1BRAFIDH1
SCHEMBL1161307 0.83 PARP10 (0.39) RAF1BRAFMMP14KMT2AALDH1A1
SCHEMBL15195877 0.83 DDR2 (0.38) RAF1BRAFIDH1KCNH2
SCHEMBL1160806 0.79 BRAF (0.41) RAF1BRAF
SCHEMBL1160800 0.79 BRAF (0.40) RAF1BRAF

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 9 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

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 RAF1 1266/4885BRAF 582/4885MMP14 3689/4885

“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.