SCHEMBL463049

SCHEMBL463049

CCOC(=O)Cc1c(C)nc2c(C)c(-c3cccc(Cl)c3)nn2c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.50
L3MBTL1 Q9Y468 6/20 0.50
TDP1 Q9NUW8 4/20 0.50
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 8/20 0.46
ALDH1A1 P00352 7/20 0.46
MAPK1 P28482 3/20 0.46
HTT P42858 6/20 0.46
HSD17B10 Q99714 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
ALOX15 P16050 2/20 0.46
USP2 O75604 2/20 0.46
LMNA P02545 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.44
TSHR P16473 1/20 0.43
CYP1A2 P05177 1/20 0.42

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
SCHEMBL460739 0.91 KDM4E (0.51) KDM4EL3MBTL1TDP1NPSR1MAPT
SCHEMBL461469 0.79 XPO1 (0.46) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL2182441 0.78 MEN1 (0.56) KDM4EL3MBTL1TDP1NPSR1MAPT
SCHEMBL10175062 0.77 PDE4A (0.41) KDM4EL3MBTL1NPSR1MAPTMEN1
SCHEMBL463305 0.77 KDM4E (0.38) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL461161 0.77 PDE4A (0.41) KDM4EL3MBTL1NPSR1MAPTMEN1
SCHEMBL10174477 0.73 ALDH1A1 (0.54) KDM4EL3MBTL1TDP1MAPTMEN1
SCHEMBL470322 0.73 PDE4A (0.39) KDM4EL3MBTL1NPSR1MAPTMEN1
SCHEMBL457202 0.72 DPP4 (0.52) KDM4ENPSR1MAPTKMT2AHPGD
SCHEMBL8570609 0.72 MAPT (0.62) KDM4EL3MBTL1TDP1NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 US disclosed
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 US disclosed
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 US disclosed
EP-2614064-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2013-07-17 EP disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 US disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 US disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 US disclosed
WO-2012033735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed
WO-2012033735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 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-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS KDM4E 2143/4885L3MBTL1 2590/4885TDP1 194/4885

“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.