SCHEMBL11030108

SCHEMBL11030108

CCN1Cc2c(Oc3ccc(NC(=O)Nc4ccccc4Cl)cc3F)ccnc2NC1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MST1R Q04912 2/20 0.46
BRAF P15056 6/20 0.45
MET P08581 6/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
KDR P35968 9/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDGFRA P16234 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.41
KMT2A Q03164 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
IGF1R P08069 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
SCHEMBL11031596 0.91 MET (0.50) MST1RBRAFMETKDRNPC1
SCHEMBL11030933 0.90 MST1R (0.51) MST1RBRAFMETKDRIGF1R
SCHEMBL11031594 0.90 MET (0.49) MST1RBRAFMETKDRPDGFRA
SCHEMBL11031964 0.89 KDR (0.55) MST1RBRAFMETKDR
SCHEMBL1161052 0.89 MST1R (0.47) MST1RBRAFMETKDRPDGFRA
SCHEMBL11034017 0.88 MET (0.48) MST1RMETKDRPDGFRA
SCHEMBL11027218 0.87 MST1R (0.46) MST1RBRAFMETKDRPDGFRA
SCHEMBL11028622 0.87 MET (0.48) MST1RBRAFMETHTR2AHTR2C
SCHEMBL11031228 0.86 MST1R (0.44) MST1RBRAFMETKDRPDGFRA
SCHEMBL12873343 0.86 MST1R (0.45) MST1RBRAFMETKDRPDGFRA

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 2790/4885BRAF 582/4885MET 1111/4885

“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.