SCHEMBL461198

SCHEMBL461198

COC(=O)C(OC(C)(C)C)c1c(C)nc2cc(-c3ccc4c(c3)CCCC4)nn2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.42
NR1I2 O75469 1/20 0.42
ATM Q13315 2/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
ABCB1 P08183 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
HPGD P15428 3/20 0.34
TP53 P04637 2/20 0.34

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
SCHEMBL461199 1.00 PSIP1 (0.42) PSIP1NR1I2ATMNPC1CASP3
SCHEMBL462539 0.91 PSIP1 (0.51) PSIP1NR1I2ATMNPC1CASP3
SCHEMBL470382 0.90 NR1I2 (0.47) PSIP1NR1I2ATMNPC1CASP3
SCHEMBL10175499 0.88 NR1I2 (0.48) PSIP1NR1I2ATMNPC1CASP3
SCHEMBL457394 0.87 ALDH1A1 (0.41) PSIP1NR1I2ATMNPC1RAB9A
SCHEMBL470378 0.87 NR1I2 (0.50) PSIP1NR1I2ATMNPC1CASP3
SCHEMBL461275 0.87 NPC1 (0.40) ATMNPC1CASP3RAB9ASENP8
SCHEMBL461782 0.87 NPC1 (0.40) ATMNPC1CASP3RAB9ASENP8
SCHEMBL15226886 0.85 NR1I2 (0.48) NR1I2NPC1RAB9AMAPTPOLB
SCHEMBL461035 0.85 NR1I2 (0.48) NR1I2NPC1RAB9AMAPTPOLB

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 10 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
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
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
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 (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 PSIP1 1676/4885NR1I2 3085/4885ATM 1672/4885
US-20130231331-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS PSIP1 1676/4885NR1I2 3085/4885ATM 1672/4885

“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.