SCHEMBL11028244

SCHEMBL11028244

Nc1ccc(Oc2ccnc3c2CNC(=O)N3)cn1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.57
RAF1 P04049 8/20 0.57
DDR2 Q16832 1/20 0.41
MPO P05164 1/20 0.41
TPO P07202 1/20 0.41
EPX P11678 1/20 0.41
LPO P22079 1/20 0.41
MST1R Q04912 2/20 0.38
EGFR P00533 2/20 0.35
AURKA O14965 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
SCHEMBL11028241 0.83 BRAF (0.51) BRAFRAF1DDR2MST1REGFR
SCHEMBL11032412 0.81 BRAF (0.54) BRAFRAF1DDR2MST1REGFR
SCHEMBL1161163 0.81 BRAF (0.54) BRAFRAF1DDR2MST1REGFR
SCHEMBL11029853 0.81 BRAF (0.54) BRAFRAF1DDR2MST1REGFR
SCHEMBL1161282 0.81 BRAF (0.54) BRAFRAF1DDR2MST1REGFR
SCHEMBL11025537 0.78 BRAF (0.52) BRAFRAF1DDR2MST1REGFR
SCHEMBL11030333 0.75 BRAF (0.62) BRAFRAF1DDR2EGFR
SCHEMBL1161084 0.75 BRAF (0.57) BRAFRAF1DDR2MST1R
SCHEMBL1161129 0.74 BRAF (0.53) BRAFRAF1DDR2MST1REGFR
SCHEMBL1161172 0.74 BRAF (0.53) BRAFRAF1DDR2MST1R

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 3 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
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

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 1266/4885DDR2 4285/4885

“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.