SCHEMBL4149996

SCHEMBL4149996

COC(=O)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CNR1 P21554 1/20 0.41
HSP90AA1 P07900 3/20 0.40
KDM4E B2RXH2 4/20 0.39
HSP90B1 P14625 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TACR1 P25103 1/20 0.37
CALCA P06881 1/20 0.37
ALOX12 P18054 1/20 0.37
APP P05067 1/20 0.37

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
SCHEMBL13944224 0.91 MEN1 (0.41) CNR2KMT2AMEN1CNR1HSP90AA1
SCHEMBL14260528 0.89 CNR2 (0.44) CNR2KMT2ACNR1HSP90AA1KDM4E
SCHEMBL4308513 0.89 CNR2 (0.40) CNR2KMT2AMEN1CNR1HSP90AA1
SCHEMBL4151010 0.89 KDM4E (0.41) CNR2KMT2ACNR1HSP90AA1KDM4E
SCHEMBL4934875 0.88 RPS6KB1 (0.41) CNR2KMT2ACNR1HSP90AA1KDM4E
SCHEMBL14260499 0.87 CNR2 (0.43) CNR2KMT2AMEN1CNR1HSP90AA1
SCHEMBL4152020 0.87 CNR2 (0.40) CNR2KMT2ACNR1HSP90AA1KDM4E
SCHEMBL13943890 0.87 TP53 (0.41) CNR2KMT2ACNR1HSP90AA1KDM4E
Diethylamine SCHEMBL4308512 0.86 CNR2 (0.41) CNR2KMT2ACNR1HSP90AA1KDM4E
SCHEMBL14260566 0.86 CCR1 (0.44) CNR2KMT2AMEN1SMN1; SMN2TDP1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 US disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
CN-100374438-C Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES INC (US) 2008-03-12 CN disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 US disclosed
EP-1742642-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-17 EP disclosed
US-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-09-28 US disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
CN-1726212-A Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES INC (US) 2006-01-25 CN disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 WO disclosed
EP-1558613-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-08-03 EP disclosed
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-26 US disclosed
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-12 US disclosed
WO-2004035576-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 WO disclosed
WO-2004035577-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 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 (6 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-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds CCNI, INTS6, CCNE1 CNR2 2362/4885KMT2A 1324/4885MEN1 3900/4885
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 CNR2 2872/4885KMT2A 1262/4885MEN1 4367/4885
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 CNR2 2872/4885KMT2A 1262/4885MEN1 4367/4885
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 CNR2 2184/4885KMT2A 1209/4885MEN1 3913/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE CNR2 4855/4885KMT2A 1777/4885MEN1 4347/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE CNR2 4855/4885KMT2A 1777/4885MEN1 4347/4885

“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.