SCHEMBL461551

SCHEMBL461551

COC(=O)C(OC(C)(C)C)c1c(C)nc2cc(-c3ccccc3)nn2c1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.49
MAPT P10636 11/20 0.46
POLB P06746 3/20 0.46
HSD17B10 Q99714 3/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
NFKB1 P19838 1/20 0.44
HTT P42858 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KDM4E B2RXH2 5/20 0.43
TP53 P04637 2/20 0.43

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
SCHEMBL458452 0.90 NR1I2 (0.58) NR1I2MAPTPOLBHSD17B10GAA
SCHEMBL15226886 0.90 NR1I2 (0.48) NR1I2MAPTPOLBHSD17B10GAA
SCHEMBL461035 0.90 NR1I2 (0.48) NR1I2MAPTPOLBHSD17B10GAA
SCHEMBL460972 0.87 NR1I2 (0.54) NR1I2MAPTPOLBHSD17B10GAA
SCHEMBL15235302 0.86 NR1I2 (0.45) NR1I2MAPTPOLBHSD17B10THRB
SCHEMBL459404 0.86 NR1I2 (0.54) NR1I2MAPTPOLBHSD17B10GAA
SCHEMBL461016 0.84 NR1I2 (0.51) NR1I2MAPTPOLBHSD17B10THRB
SCHEMBL15235298 0.83 NR1I2 (0.47) NR1I2ALDH1A1HPGD
SCHEMBL15227230 0.83 NR1I2 (0.47) NR1I2MAPTALDH1A1HPGD
SCHEMBL15227233 0.83 NR1I2 (0.47) NR1I2MAPTALDH1A1HPGD

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 NR1I2 3085/4885MAPT 2620/4885POLB 22/4885

“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.