SCHEMBL1684227

SCHEMBL1684227

O=C1NC(=O)c2c1c(O)c1cccnc1c2O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.48
CCND1 P24385 2/20 0.48
KDM4E B2RXH2 10/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MPI P34949 1/20 0.46
MEN1 O00255 8/20 0.45
KMT2A Q03164 8/20 0.45
TDP1 Q9NUW8 7/20 0.45
HSP90AA1 P07900 6/20 0.45
HTT P42858 6/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
ALDH1A1 P00352 6/20 0.45
MAPT P10636 6/20 0.45
LMNA P02545 5/20 0.45
TP53 P04637 4/20 0.45
ALOX15 P16050 3/20 0.45
SLC6A2 P23975 3/20 0.45
USP2 O75604 3/20 0.45
MMP14 P50281 3/20 0.45
OPRK1 P41145 3/20 0.45

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
SCHEMBL5768906 0.77 HTT (0.44) KDM4EL3MBTL1MPIMEN1KMT2A
SCHEMBL5768327 0.74 KDM4E (0.48) KDM4EL3MBTL1MPIMEN1KMT2A
SCHEMBL5769757 0.73 MEN1 (0.45) KDM4EL3MBTL1MEN1KMT2ATDP1
SCHEMBL3241364 0.72 KDM4E (0.61) KDM4EL3MBTL1MPIMEN1KMT2A
SCHEMBL687239 0.72 HSP90AA1 (0.58) KDM4EL3MBTL1MPIMEN1KMT2A
SCHEMBL4578063 0.71 KDM4E (0.55) KDM4EL3MBTL1MPIMEN1KMT2A
SCHEMBL4162799 0.69 KDM4E (0.39) KDM4EL3MBTL1MEN1KMT2ATDP1
SCHEMBL5769747 0.69 ALDH1A1 (0.52) KDM4EL3MBTL1MPIMEN1KMT2A
SCHEMBL6100137 0.68 KDM4E (0.48) KDM4EL3MBTL1MEN1KMT2ATDP1
SCHEMBL7902933 0.68 CDK5 (0.47) CDK4CCND1KDM4EMPIMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011041512-A2 COMPOSITIONS AND METHODS FOR TREATING MLV-INFECTION, AND PREVENTING AND TREATING MLV-INITIATED DISEASES EMORY UNIVERSITY (US) 2011-04-07 WO disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 US disclosed
EP-1742642-B1 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2008-10-15 EP 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
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 CDK4 15/4885CCND1 83/4885KDM4E 1925/4885
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 CDK4 18/4885CCND1 281/4885KDM4E 1139/4885
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 CDK4 18/4885CCND1 281/4885KDM4E 1139/4885
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 CDK4 6/4885CCND1 158/4885KDM4E 1594/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE CDK4 418/4885CCND1 3138/4885KDM4E 1618/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE CDK4 418/4885CCND1 3138/4885KDM4E 1618/4885

“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.