SCHEMBL2174308

SCHEMBL2174308

COC(=O)c1coc(CN2C(=O)c3ccccc3C2=O)n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 4/20 0.48
MAPK1 P28482 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
DAGLA Q9Y4D2 1/20 0.43
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
KCNH2 Q12809 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL13141147 0.84 SLC6A2 (0.44) CACNA1GMAPK1HSD17B10POLBMAPT
SCHEMBL2171500 0.83 MAPT (0.51) MAPK1HPGDHDAC6MAPTMEN1
SCHEMBL2172393 0.79 MEN1 (0.56) MAPK1HPGDHSD17B10KDM4ELMNA
SCHEMBL2172684 0.76 MEN1 (0.50) MAPK1HPGDHSD17B10KDM4ELMNA
SCHEMBL1974766 0.75 DAGLA (0.42) CACNA1GMAPK1DAGLAKCNH2SLC6A2
SCHEMBL11910637 0.75 DAGLA (0.55) CACNA1GLMNAPOLBMAPTMEN1
SCHEMBL7430392 0.74 CACNA1G (0.61) CACNA1GMAPK1LMNAMAPTKMT2A
SCHEMBL7427115 0.74 HRH3 (0.57) CACNA1GKDM4EKCNH2
SCHEMBL16130104 0.74 DAGLA (0.43) CACNA1GMAPK1DAGLAKCNH2SLC6A2
SCHEMBL2116168 0.74 DAGLA (0.43) CACNA1GMAPK1KDM4EDAGLAKCNH2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US disclosed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US disclosed
EP-1730128-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-12-13 EP disclosed
WO-2005097765-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-10-20 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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE ALK, BCL3, MCL1 CACNA1G 4004/4885MAPK1 220/4885HPGD 3481/4885

“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.