SCHEMBL462716

SCHEMBL462716

COC(=O)C(OC(C)(C)C)c1c(C)nc2cc(-c3cccc(Cl)c3)nn2c1-c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.49
POLB P06746 2/20 0.43
DPP4 P27487 2/20 0.42
DPP8 Q6V1X1 2/20 0.42
DPP9 Q86TI2 2/20 0.42
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ABCB1 P08183 2/20 0.38

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
SCHEMBL462717 1.00 NR1I2 (0.49) NR1I2POLBDPP4DPP8DPP9
SCHEMBL462941 0.93 NR1I2 (0.47) NR1I2POLBDPP4DPP8DPP9
SCHEMBL462940 0.93 NR1I2 (0.47) NR1I2POLBDPP4DPP8DPP9
SCHEMBL461016 0.93 NR1I2 (0.51) NR1I2POLBDPP4DPP8DPP9
SCHEMBL462874 0.92 NR1I2 (0.57) NR1I2DPP4DPP8DPP9NPSR1
SCHEMBL461344 0.92 NR1I2 (0.57) NR1I2DPP4DPP8DPP9NPSR1
SCHEMBL461028 0.87 POLB (0.46) NR1I2POLBDPP4DPP8DPP9
SCHEMBL461029 0.87 POLB (0.46) NR1I2POLBDPP4DPP8DPP9
SCHEMBL462501 0.87 NR1I2 (0.42) NR1I2POLBDPP4DPP8DPP9
SCHEMBL461350 0.87 NR1I2 (0.42) NR1I2POLBDPP4DPP8DPP9

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 4 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
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
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 3085/4885POLB 22/4885DPP4 3849/4885

“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.