SCHEMBL470294

SCHEMBL470294

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
HPGD P15428 4/20 0.43
MAPK1 P28482 2/20 0.43
GPR119 Q8TDV5 1/20 0.42
KDM4E B2RXH2 5/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
FYN P06241 1/20 0.41
PIM1 P11309 5/20 0.40
PIM2 Q9P1W9 4/20 0.40
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
DPP4 P27487 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FLT3 P36888 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
SCHEMBL458947 0.90 KDM4E (0.50) ALDH1A1L3MBTL1HPGDMAPK1GPR119
SCHEMBL462362 0.86 GPR119 (0.43) ALDH1A1L3MBTL1HPGDMAPK1GPR119
SCHEMBL458967 0.79 DPP4 (0.45) ALDH1A1HPGDMAPK1KDM4EKMT2A
SCHEMBL457958 0.79 HPGD (0.55) ALDH1A1L3MBTL1HPGDMAPK1GPR119
SCHEMBL458966 0.79 DPP4 (0.45) ALDH1A1HPGDMAPK1KDM4EKMT2A
SCHEMBL458296 0.75 KDM4E (0.46) ALDH1A1L3MBTL1HPGDMAPK1GPR119
SCHEMBL461632 0.75 DPP4 (0.43) ALDH1A1L3MBTL1HPGDMAPK1GPR119
SCHEMBL10174477 0.74 ALDH1A1 (0.54) ALDH1A1L3MBTL1HPGDMAPK1GPR119
SCHEMBL15235305 0.74 GPR119 (0.40) GPR119KDM4EMAPTFYNPIM1
SCHEMBL461161 0.73 PDE4A (0.41) ALDH1A1L3MBTL1HPGDKDM4EKMT2A

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 11 patents. 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-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-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-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-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

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 ALDH1A1 3327/4885L3MBTL1 2590/4885HPGD 1512/4885
US-20130231331-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS ALDH1A1 3327/4885L3MBTL1 2590/4885HPGD 1512/4885

“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.