SCHEMBL11028985

SCHEMBL11028985

COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Oc2ccnc3c2CNC(=O)N3)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MST1R Q04912 2/20 0.48
BRD4 O60885 2/20 0.45
BRD2 P25440 1/20 0.45
AXL P30530 7/20 0.45
ALPL P05186 5/20 0.45
PKM P14618 1/20 0.42
TRIM24 O15164 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
CRHBP P24387 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL11033694 0.90 AXL (0.48) MST1RBRD4AXLALPLLMNA
SCHEMBL1160924 0.87 MST1R (0.49) MST1RAXLALDH1A1
SCHEMBL11032445 0.85 AXL (0.43) BRD4BRD2AXLALPLTRIM24
SCHEMBL11032353 0.84 MST1R (0.54) MST1RBRD4AXL
SCHEMBL1160971 0.84 MST1R (0.50) MST1RBRD4AXLPKMALDH1A1
SCHEMBL11031193 0.82 MST1R (0.50) MST1RBRD4AXLALDH1A1LMNA
SCHEMBL11030467 0.82 MST1R (0.57) MST1RAXLALDH1A1
SCHEMBL11030851 0.82 MST1R (0.51) MST1RAXLALDH1A1LMNAGAA
SCHEMBL11031317 0.82 MST1R (0.51) MST1RAXLALDH1A1
SCHEMBL1160864 0.81 MST1R (0.50) MST1RAXLMEN1ALDH1A1LMNA

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 MST1R 2790/4885BRD4 158/4885BRD2 135/4885

“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.