SCHEMBL11030104

SCHEMBL11030104

CCN1Cc2c(Nc3ccc(-c4ccsc4)cc3)ccnc2NC1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.41
STK10 O94804 1/20 0.36
SLK Q9H2G2 1/20 0.36
TGFBR1 P36897 3/20 0.35
CYP17A1 P05093 1/20 0.33
JAK2 O60674 1/20 0.33
PORCN Q9H237 2/20 0.33
FYN P06241 1/20 0.33
ENPP1 P22413 1/20 0.32
P2RX3 P56373 2/20 0.32
IKBKB O14920 3/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
BTK Q06187 1/20 0.32
MAP4K4 O95819 1/20 0.31
PRKCI P41743 1/20 0.31

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
SCHEMBL1161157 0.82 IDH1 (0.42) MAPKAPK2JAK2ENPP1PRKCI
SCHEMBL11028407 0.82 RAB9A (0.44)
SCHEMBL1161284 0.80 BRD4 (0.38) JAK2ENPP1
SCHEMBL1160821 0.80 ALK (0.40) ENPP1P2RX3MMP2MMP9MMP8
SCHEMBL1161296 0.79 MAPKAPK2 (0.41) MAPKAPK2STK10SLKTGFBR1CYP17A1
SCHEMBL1161212 0.79 ADRA2A (0.49) MAPKAPK2JAK2
SCHEMBL1160826 0.78 BRD4 (0.39) JAK2PORCN
SCHEMBL1160979 0.78 ROCK1 (0.41) JAK2IKBKB
SCHEMBL11030882 0.77 SLC2A1 (0.44) MAPKAPK2JAK2
SCHEMBL11027546 0.76 TYK2 (0.42) ENPP1MAP4K4

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
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
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 MAPKAPK2 2386/4885STK10 2057/4885SLK 3296/4885

“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.