SCHEMBL11028407

SCHEMBL11028407

CCN1Cc2c(Nc3ccc(-c4csc(C)n4)cc3)ccnc2NC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.44
NPC1 O15118 13/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
HPGD P15428 3/20 0.39
ALDH1A1 P00352 7/20 0.39
LMNA P02545 1/20 0.39
GFER P55789 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
PAX8 Q06710 1/20 0.36
KLF5 Q13887 1/20 0.36
MMP12 P39900 1/20 0.36
BLM P54132 1/20 0.36
PKM P14618 2/20 0.35
STAT1 P42224 1/20 0.35

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
SCHEMBL11030104 0.82 MAPKAPK2 (0.41)
SCHEMBL1161284 0.82 BRD4 (0.38) KMT2A
SCHEMBL11034005 0.81 HPGD (0.43) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL1161157 0.80 IDH1 (0.42) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL1160821 0.78 ALK (0.40) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL1160826 0.76 BRD4 (0.39) RAB9ANPC1ALDH1A1LMNAMEN1
SCHEMBL1160979 0.76 ROCK1 (0.41) SMN1; SMN2LMNAMAPT
SCHEMBL11027546 0.75 TYK2 (0.42) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL1160852 0.75 PTGS1 (0.38) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL11030882 0.75 SLC2A1 (0.44) MAPT

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 RAB9A 1974/4885NPC1 1489/4885SMN1; SMN2 4157/4885

“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.