SCHEMBL470345

SCHEMBL470345

Cc1nc2cc(-c3ccccc3)nn2c(-c2cccc3cccnc23)c1C(OC(C)(C)C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.58
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
HTT P42858 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL470347 0.89 NR1I2 (0.57) NR1I2CYP3A4MAPTNPC1RAB9A
SCHEMBL12090963 0.86 NR1I2 (0.66) NR1I2CYP3A4MAPTNPC1RAB9A
SCHEMBL12091025 0.85 NR1I2 (0.66) NR1I2CYP3A4MAPTNPC1RAB9A
SCHEMBL470488 0.85 NR1I2 (0.62) NR1I2CYP3A4MAPTNPC1RAB9A
SCHEMBL470346 0.85 NR1I2 (0.57) NR1I2CYP3A4MAPTNPC1RAB9A
SCHEMBL470487 0.84 NR1I2 (0.56) NR1I2CYP3A4MAPTNPC1RAB9A
SCHEMBL470355 0.84 NR1I2 (0.60) NR1I2CYP3A4MAPTNPC1RAB9A
SCHEMBL12090955 0.84 NR1I2 (0.61) NR1I2MAPTALDH1A1KDM4E
SCHEMBL470491 0.83 NR1I2 (0.57) NR1I2CYP3A4MAPTNPC1RAB9A
SCHEMBL12091023 0.83 NR1I2 (0.60) NR1I2CYP3A4MAPTNPC1RAB9A

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 5 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-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 (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 3085/4885CYP3A4 1719/4885MAPT 2620/4885

“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.