SCHEMBL462362

SCHEMBL462362

COC(=O)C(OC(C)(C)C)c1c(C)nc2c(-c3cccc(Cl)c3)cnn2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.43
FYN P06241 1/20 0.40
ALDH1A1 P00352 5/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
HPGD P15428 3/20 0.40
MAPK1 P28482 2/20 0.40
KMT2A Q03164 5/20 0.39
RAB9A P51151 5/20 0.39
MEN1 O00255 4/20 0.39
NPC1 O15118 4/20 0.39
PIM1 P11309 5/20 0.39
PIM2 Q9P1W9 4/20 0.39
FLT3 P36888 1/20 0.39
KDM4E B2RXH2 5/20 0.38
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
LCK P06239 1/20 0.36
DPP4 P27487 1/20 0.36
JAK2 O60674 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35

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
SCHEMBL458296 0.91 KDM4E (0.46) GPR119ALDH1A1L3MBTL1HPGDMAPK1
SCHEMBL461632 0.87 DPP4 (0.43) GPR119FYNALDH1A1L3MBTL1HPGD
SCHEMBL470294 0.86 ALDH1A1 (0.43) GPR119FYNALDH1A1L3MBTL1HPGD
SCHEMBL15235305 0.85 GPR119 (0.40) GPR119FYNRAB9ANPC1PIM1
SCHEMBL12091336 0.82 NR1I2 (0.47) GPR119FYNALDH1A1L3MBTL1HPGD
SCHEMBL461603 0.81 NR1I2 (0.39) GPR119FYNALDH1A1L3MBTL1HPGD
SCHEMBL461350 0.81 NR1I2 (0.42) ALDH1A1HPGDMAPK1KMT2ARAB9A
SCHEMBL462501 0.81 NR1I2 (0.42) ALDH1A1HPGDMAPK1KMT2ARAB9A
SCHEMBL461512 0.78 NR1I2 (0.60) GPR119FYNALDH1A1L3MBTL1HPGD
SCHEMBL461169 0.78 DPP4 (0.46) GPR119FYNALDH1A1L3MBTL1HPGD

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822949-B9 FUSED PYRIMIDINES AS INHIBITORS OF IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-01-25 EP disclosed
EP-2822949-B9 FUSED PYRIMIDINES AS INHIBITORS OF IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-01-25 EP disclosed
EP-2822949-B1 FUSED PYRIMIDINES AS INHIBITORS OF IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL MYERS SQUIBB CO (US) 2016-09-07 EP disclosed
EP-2822949-B1 FUSED PYRIMIDINES AS INHIBITORS OF IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL MYERS SQUIBB CO (US) 2016-09-07 EP disclosed
US-9034882-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-19 US disclosed
US-9034882-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-19 US disclosed
US-9034882-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-19 US disclosed
EP-2822949-A1 FUSED PYRIMIDINES AS INHIBITORS OF IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2015-01-14 EP 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
WO-2013134113-A1 FUSED PYRIMIDINES AS INHIBITORS OF IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-12 WO disclosed
US-20130231331-A1 Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2013-09-05 US disclosed
US-20130231331-A1 Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2013-09-05 US disclosed
US-20130231331-A1 Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2013-09-05 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 (2 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 GPR119 2863/4885FYN 1785/4885ALDH1A1 3327/4885
US-20130231331-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS GPR119 2863/4885FYN 1785/4885ALDH1A1 3327/4885

“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.