SCHEMBL456291

SCHEMBL456291

COC(=O)Cc1c(C)nc2c(-c3ccccc3)cnn2c1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.65
L3MBTL1 Q9Y468 5/20 0.65
MAPT P10636 10/20 0.57
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
TDP1 Q9NUW8 3/20 0.57
ALDH1A1 P00352 6/20 0.51
HPGD P15428 5/20 0.51
MAPK1 P28482 3/20 0.51
DPP4 P27487 1/20 0.48
RAB9A P51151 9/20 0.47
NPC1 O15118 9/20 0.46
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.44
HSD17B10 Q99714 3/20 0.44

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
SCHEMBL457958 0.89 HPGD (0.55) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL470270 0.88 KDM4E (0.66) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL10174477 0.80 ALDH1A1 (0.54) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL458947 0.77 KDM4E (0.50) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL459359 0.76 MAPT (0.52) KDM4EMAPTALDH1A1HPGDDPP4
SCHEMBL15226888 0.76 KDM4E (0.52) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL458297 0.75 L3MBTL1 (0.49) KDM4EL3MBTL1MAPTTDP1ALDH1A1
SCHEMBL6122215 0.75 KMT2A (0.43) KDM4EL3MBTL1MAPTKMT2ATDP1
SCHEMBL458296 0.73 KDM4E (0.46) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL2044748 0.72 KDM4E (0.42) KDM4EL3MBTL1MAPTMEN1KMT2A

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 KDM4E 2143/4885L3MBTL1 2590/4885MAPT 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.