SCHEMBL459408

SCHEMBL459408

COC(=O)C(OC(C)(C)C)c1c(C)nc2ccnn2c1-c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.38
NR1I2 O75469 1/20 0.37
KDR P35968 1/20 0.35
CYP3A4 P08684 2/20 0.33
PDE4B Q07343 5/20 0.33
PDE4D Q08499 5/20 0.33
PDE4A P27815 4/20 0.32
PDE4C Q08493 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL461036 0.89 PSIP1 (0.48) PSIP1NR1I2CYP3A4
SCHEMBL458548 0.84 KDR (0.37) PSIP1KDRPDE4BPDE4DPDE4A
SCHEMBL460972 0.81 NR1I2 (0.54) PSIP1NR1I2CYP3A4SMN1; SMN2KDM4E
SCHEMBL2045656 0.80 PSIP1 (0.48) PSIP1KDRPDE4BPDE4DPDE4A
SCHEMBL462940 0.77 NR1I2 (0.47) NR1I2CYP3A4SMN1; SMN2KDM4EALDH1A1
SCHEMBL462941 0.77 NR1I2 (0.47) NR1I2CYP3A4SMN1; SMN2KDM4EALDH1A1
SCHEMBL10175499 0.76 NR1I2 (0.48) PSIP1NR1I2CYP3A4SMN1; SMN2KDM4E
SCHEMBL457394 0.76 ALDH1A1 (0.41) PSIP1NR1I2SMN1; SMN2KDM4EALDH1A1
SCHEMBL459962 0.75 PSIP1 (0.42) PSIP1KDRPDE4BPDE4DPDE4A
SCHEMBL462981 0.74 ALDH1A1 (0.45) KDRPDE4BPDE4DSMN1; SMN2KDM4E

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 PSIP1 1676/4885NR1I2 3085/4885KDR 4247/4885

“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.