SCHEMBL11027734

SCHEMBL11027734

CCN1Cc2c(Oc3ccc(C)cc3)ccnc2NC1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.39
BRAF P15056 9/20 0.36
RAF1 P04049 3/20 0.36
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
DDR2 Q16832 1/20 0.35
EGFR P00533 7/20 0.34
MMP14 P50281 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL11029321 0.91 IDH1 (0.43) IDH1BRAFRAF1DDR2EGFR
SCHEMBL11031849 0.89 IDH1 (0.40) IDH1BRAFRAF1DDR2EGFR
SCHEMBL1160958 0.89 IDH1 (0.47) IDH1BRAFRAF1DDR2EGFR
SCHEMBL12873243 0.89 AURKA (0.42) IDH1BRAFRAF1DDR2EGFR
SCHEMBL1160828 0.86 DDR2 (0.40) IDH1BRAFRAF1DDR2EGFR
SCHEMBL1160825 0.85 FGFR2 (0.43) IDH1BRAFRAF1DDR2MEN1
SCHEMBL1161279 0.82 BRAF (0.39) BRAFRAF1EGFR
SCHEMBL1160806 0.82 BRAF (0.41) BRAFRAF1EGFR
SCHEMBL1160800 0.82 BRAF (0.40) BRAFRAF1EGFR
SCHEMBL11031834 0.81 MMP14 (0.37) BRAFRAF1EGFRMMP14

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 6 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
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
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 IDH1 747/4885BRAF 582/4885RAF1 1266/4885

“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.