SCHEMBL11029672

SCHEMBL11029672

CCN1Cc2c(Oc3ccccc3F)ccnc2NC1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MST1R Q04912 2/20 0.38
ALDH1A1 P00352 1/20 0.36
IDH1 O75874 3/20 0.36
MMP14 P50281 1/20 0.35
HTR1A P08908 3/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 1/20 0.35
KDM4E B2RXH2 2/20 0.34
SLC6A4 P31645 1/20 0.34
GCK P35557 1/20 0.33
ADRB2 P07550 1/20 0.33
CARM1 Q86X55 1/20 0.33
EGFR P00533 1/20 0.33
BRAF P15056 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1160958 0.85 IDH1 (0.47) MST1RIDH1MMP14EGFRBRAF
SCHEMBL9905428 0.85 AXL (0.38) MST1RIDH1EGFRBRAF
SCHEMBL1160819 0.81 BRAF (0.40) IDH1MMP14HTR1ASLC6A2SLC6A3
SCHEMBL11030933 0.81 MST1R (0.51) MST1RBRAF
SCHEMBL11031935 0.81 AXL (0.48) MST1REGFRBRAF
SCHEMBL11034017 0.80 MET (0.48) MST1R
SCHEMBL11031596 0.80 MET (0.50) MST1RALDH1A1BRAF
SCHEMBL15195877 0.79 DDR2 (0.38) IDH1EGFRBRAF
SCHEMBL11030327 0.79 MET (0.45) MST1R
SCHEMBL11027734 0.79 IDH1 (0.39) ALDH1A1IDH1MMP14EGFRBRAF

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 7 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
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 2790/4885ALDH1A1 1372/4885IDH1 747/4885

“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.