SCHEMBL1160971

SCHEMBL1160971

COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccnc4c3CNC(=O)N4)c(F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MST1R Q04912 2/20 0.50
HPGD P15428 1/20 0.46
KIT P10721 3/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP17A1 P05093 1/20 0.43
AXL P30530 3/20 0.42
BRD4 O60885 1/20 0.42
PLA2G7 Q13093 1/20 0.42
ESR1 P03372 1/20 0.42
PKM P14618 1/20 0.41
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 1/20 0.41
EGFR P00533 2/20 0.40
MET P08581 2/20 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
SCHEMBL11030851 0.91 MST1R (0.51) MST1RHPGDKITLMNASMN1; SMN2
SCHEMBL11031193 0.91 MST1R (0.50) MST1RLMNAAXLBRD4ALDH1A1
SCHEMBL1160924 0.89 MST1R (0.49) MST1RHPGDAXLPLA2G7ESR1
SCHEMBL11028415 0.89 MST1R (0.49) MST1RHPGDKITLMNAHTT
SCHEMBL11030467 0.89 MST1R (0.57) MST1RHPGDCYP17A1AXLPLA2G7
SCHEMBL1160864 0.88 MST1R (0.50) MST1RKITLMNAHTTAXL
SCHEMBL11031317 0.87 MST1R (0.51) MST1RHPGDAXLALDH1A1MET
SCHEMBL12873339 0.85 MST1R (0.49) MST1RAXLPKMEGFRMET
SCHEMBL11029200 0.84 SLC22A12 (0.47) MST1R
SCHEMBL11028053 0.84 AXL (0.43) HPGDKITLMNATSHRHTT

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
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
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
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 2790/4885HPGD 1182/4885KIT 645/4885

“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.