SCHEMBL461632

SCHEMBL461632

COC(=O)C(OC(C)(C)C)c1c(C)nc2c(-c3cccc(Cl)c3)cnn2c1-c1ccc(C)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.43
GPR119 Q8TDV5 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
FYN P06241 1/20 0.36
PIM1 P11309 4/20 0.35
PIM2 Q9P1W9 4/20 0.35
FLT3 P36888 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
LCK P06239 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL461169 0.92 DPP4 (0.46) DPP4GPR119L3MBTL1ALDH1A1HPGD
SCHEMBL462362 0.87 GPR119 (0.43) DPP4GPR119L3MBTL1ALDH1A1HPGD
SCHEMBL12091336 0.82 NR1I2 (0.47) DPP4GPR119L3MBTL1ALDH1A1HPGD
SCHEMBL461603 0.80 NR1I2 (0.39) GPR119L3MBTL1ALDH1A1HPGDMAPK1
SCHEMBL15235305 0.80 GPR119 (0.40) GPR119FYNPIM1PIM2FLT3
SCHEMBL461512 0.79 NR1I2 (0.60) DPP4GPR119L3MBTL1ALDH1A1HPGD
SCHEMBL458296 0.78 KDM4E (0.46) DPP4GPR119L3MBTL1ALDH1A1HPGD
SCHEMBL470294 0.75 ALDH1A1 (0.43) DPP4GPR119L3MBTL1ALDH1A1HPGD
SCHEMBL462940 0.74 NR1I2 (0.47) DPP4ALDH1A1HPGDMAPK1MEN1
SCHEMBL462941 0.74 NR1I2 (0.47) DPP4ALDH1A1HPGDMAPK1MEN1

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 DPP4 3849/4885GPR119 2863/4885L3MBTL1 2590/4885

“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.