SCHEMBL1161241

SCHEMBL1161241

CCN1Cc2c(Oc3cccc(C#N)c3)ccnc2NC1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.40
RAF1 P04049 3/20 0.39
BRAF P15056 3/20 0.39
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
PGGT1B P53609 2/20 0.39
EPAS1 Q99814 2/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 1/20 0.37
P2RX3 P56373 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
VEGFA P15692 1/20 0.36
TBXAS1 P24557 1/20 0.35
EGFR P00533 1/20 0.35
GRIA2 P42262 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL1160829 0.89 RAF1 (0.38) RAF1BRAFCYP11B1CYP11B2
SCHEMBL11031834 0.85 MMP14 (0.37) HTR2CRAF1BRAFFNTAFNTB
SCHEMBL1161020 0.85 EGFR (0.42) RAF1BRAFFNTAFNTBPGGT1B
SCHEMBL1161162 0.85 BRAF (0.38) RAF1BRAFEGFR
SCHEMBL11028684 0.83 NOD1 (0.34) RAF1BRAFFFAR1EGFR
SCHEMBL1160800 0.79 BRAF (0.40) RAF1BRAFEGFR
SCHEMBL11029321 0.79 IDH1 (0.43) RAF1BRAFEGFR
SCHEMBL11027734 0.79 IDH1 (0.39) RAF1BRAFEGFR
SCHEMBL12873243 0.78 AURKA (0.42) RAF1BRAFEGFR
SCHEMBL11031849 0.78 IDH1 (0.40) RAF1BRAFEGFR

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 HTR2C 4192/4885RAF1 1266/4885BRAF 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.