SCHEMBL11030333

SCHEMBL11030333

O=C1NCc2c(Oc3ccc4c(c3)OCO4)ccnc2N1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.62
RAF1 P04049 5/20 0.62
EGFR P00533 2/20 0.42
DDR2 Q16832 1/20 0.42
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL19242869 0.81 BRAF (0.65) BRAFRAF1EGFR
SCHEMBL16379979 0.78 BRAF (0.69) BRAFRAF1EGFR
SCHEMBL1160806 0.78 BRAF (0.41) BRAFRAF1EGFR
SCHEMBL1161282 0.78 BRAF (0.54) BRAFRAF1EGFRDDR2ALDH1A1
SCHEMBL1161163 0.78 BRAF (0.54) BRAFRAF1EGFRDDR2ALDH1A1
SCHEMBL11029853 0.78 BRAF (0.54) BRAFRAF1EGFRDDR2MMP13
SCHEMBL11032412 0.78 BRAF (0.54) BRAFRAF1EGFRDDR2
SCHEMBL19237454 0.77 BRAF (0.79) BRAFRAF1EGFR
SCHEMBL16380753 0.77 BRAF (1.00) BRAFRAF1EGFR
SCHEMBL1161084 0.77 BRAF (0.57) BRAFRAF1DDR2

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 8 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
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 BRAF 582/4885RAF1 1266/4885EGFR 723/4885

“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.