SCHEMBL462614

SCHEMBL462614

COC(=O)Cc1c(C)nc2c(Cl)c(C)nn2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ L3MBTL1 Q9Y468 4/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ GAA P10253 3/20 0.40
▸ KDM5B Q9UGL1 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ DCTPP1 Q9H773 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HTT P42858 1/20 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
SCHEMBL461266 0.88 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL6122215 0.79 KMT2A (0.43) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL461816 0.75 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL470412 0.74 MAPT (0.40) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL2040441 0.74 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL13266540 0.73 L3MBTL1 (0.44) KDM4EALDH1A1L3MBTL1GAAKDM5B
SCHEMBL2044748 0.73 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL458297 0.72 L3MBTL1 (0.49) KDM4EALDH1A1HPGDL3MBTL1TDP1
SCHEMBL456291 0.72 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL2051557 0.72 AURKA (0.46) KDM4EALDH1A1HPGDHSD17B10L3MBTL1

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 2143/4885ALDH1A1 3327/4885HPGD 1512/4885

“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.

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