SCHEMBL11033686

SCHEMBL11033686

COc1ccc(CN2Cc3c(Oc4ccc(-c5cnc6ccccc6n5)cc4)ccnc3NC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.40
KDM4E B2RXH2 6/20 0.40
NPC1 O15118 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
ALDH1A1 P00352 5/20 0.39
RAB9A P51151 4/20 0.39
HPGD P15428 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 5/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MTOR P42345 1/20 0.39
IDH1 O75874 1/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL11027623 0.79 GAA (0.42) MAPTSMN1; SMN2ALDH1A1KMT2AIDH1
SCHEMBL11027622 0.77 GAA (0.40) SMN1; SMN2ALDH1A1IDH1HSD17B10GAA
SCHEMBL1161238 0.76 SMN1; SMN2 (0.47) MAPTKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL11029321 0.76 IDH1 (0.43) ALDH1A1IDH1LMNAGAA
SCHEMBL1160975 0.74 GAA (0.50) MAPTSMN1; SMN2ALDH1A1L3MBTL1KMT2A
SCHEMBL16340469 0.73 GAA (0.49) MAPTSMN1; SMN2ALDH1A1L3MBTL1KMT2A
SCHEMBL11030059 0.72 GAA (0.39) MAPTSMN1; SMN2ALDH1A1IDH1LMNA
SCHEMBL11027755 0.72 KDR (0.51) IDH1GAA
SCHEMBL14691553 0.70 OPRK1 (0.42) GAAMETCYP3A4
SCHEMBL710433 0.69 NPC1 (0.71) MAPTKDM4ENPC1SMN1; SMN2ALDH1A1

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 MAPT 3151/4885KDM4E 794/4885NPC1 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.