SCHEMBL11034005

SCHEMBL11034005

Cc1nc(-c2ccc(Nc3ccnc4c3CNC(=O)N4)cc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
RAB9A P51151 15/20 0.42
NPC1 O15118 13/20 0.42
SMN1; SMN2 Q16637 6/20 0.41
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
PAX8 Q06710 1/20 0.39
KLF5 Q13887 1/20 0.39
MMP12 P39900 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
STAT1 P42224 2/20 0.38
MAPK1 P28482 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL11028407 0.81 RAB9A (0.44) HPGDRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1161296 0.78 MAPKAPK2 (0.41)
SCHEMBL11028846 0.76 MAPT (0.42) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL11029715 0.73 PTGS1 (0.41) HPGDLMNAL3MBTL1GAA
SCHEMBL1160944 0.73 TYK2 (0.45) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL1161229 0.72 KMT2A (0.38) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL15195873 0.72 PTGS1 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6520605 0.72 AURKA (0.63)
SCHEMBL11031258 0.71 ADRA2A (0.53) GFER
SCHEMBL11886918 0.70 CHEK1 (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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 HPGD 1182/4885RAB9A 1974/4885NPC1 1489/4885

“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.