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SCHEMBL4158388

SCHEMBL4158388

COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C(=O)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KAT2B Q92831 1/20 0.40
▸ CNR2 P34972 4/20 0.40
▸ MAPT P10636 5/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ TP53 P04637 2/20 0.38
▸ APP P05067 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MEN1 O00255 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
SCHEMBL13968326 0.89 CYP1A2 (0.45) CYP1A2CYP2C19KAT2BCNR2MAPT
SCHEMBL4162838 0.87 CYP1A2 (0.47) CYP1A2CYP2C19KAT2BCNR2MAPT
SCHEMBL13943890 0.84 TP53 (0.41) CYP1A2CYP2C19KAT2BCNR2MAPT
SCHEMBL4154557 0.84 CYP1A2 (0.36) CYP1A2CYP2C19KAT2BCNR2MAPT
SCHEMBL4155596 0.83 CYP1A2 (0.42) CYP1A2CYP2C19KAT2BCNR2MAPT
SCHEMBL4150453 0.79 CYP1A2 (0.54) CYP1A2CYP2C19KAT2BCNR2MAPT
SCHEMBL4160726 0.79 CNR2 (0.40) CNR2MAPTKDM4EKMT2AHTT
SCHEMBL14260125 0.78 CYP1A2 (0.48) CYP1A2CYP2C19KAT2BCNR2MAPT
SCHEMBL4150012 0.78 KAT2B (0.40) CYP1A2CYP2C19KAT2BCNR2MAPT
SCHEMBL14260304 0.77 CYP1A2 (0.42) CYP1A2CYP2C19KAT2BCNR2MAPT

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-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
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 — — 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
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
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-2004035577-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 — — WO disclosed
WO-2004035576-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 CYP1A2 154/4885CYP2C19 228/4885KAT2B 1112/4885
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 CYP1A2 659/4885CYP2C19 527/4885KAT2B 1517/4885
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 CYP1A2 659/4885CYP2C19 527/4885KAT2B 1517/4885
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 CYP1A2 330/4885CYP2C19 585/4885KAT2B 1499/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE CYP1A2 4127/4885CYP2C19 3332/4885KAT2B 1422/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE CYP1A2 4127/4885CYP2C19 3332/4885KAT2B 1422/4885

“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.