SCHEMBL4151011

SCHEMBL4151011

CC(OP(=O)(O)CCN1CCN(C(=O)Oc2c3c(c(O)c4ncccc24)C(=O)N(Cc2ccc(F)cc2)C3)CC1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
NPSR1 Q6W5P4 5/20 0.37
MAPT P10636 4/20 0.37
HTT P42858 4/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 3/20 0.37
MPI P34949 2/20 0.37
NPC1 O15118 1/20 0.37
CTSB P07858 1/20 0.35
APP P05067 2/20 0.35
KDM4E B2RXH2 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 3/20 0.33
HSP90AA1 P07900 1/20 0.33
ALDH1A1 P00352 5/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
HTR7 P34969 2/20 0.32
CNR2 P34972 3/20 0.32
CNR1 P21554 1/20 0.31

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
SCHEMBL13944234 1.00 KMT2A (0.37) KMT2ANPSR1MAPTHTTRAB9A
SCHEMBL13944329 0.90 APP (0.35) KMT2ANPSR1MAPTHTTRAB9A
SCHEMBL4142916 0.90 APP (0.35) KMT2ANPSR1MAPTHTTRAB9A
SCHEMBL13944167 0.89 HTT (0.39) KMT2ANPSR1MAPTHTTRAB9A
SCHEMBL5227763 0.88 APP (0.37) KMT2ANPSR1MAPTHTTRAB9A
SCHEMBL13944171 0.87 MAPT (0.40) KMT2ANPSR1MAPTHTTRAB9A
SCHEMBL13944189 0.85 KMT2A (0.39) KMT2ANPSR1MAPTHTTRAB9A
SCHEMBL13968065 0.85 KMT2A (0.39) KMT2ANPSR1MAPTHTTRAB9A
SCHEMBL4148711 0.85 KMT2A (0.39) KMT2ANPSR1MAPTHTTRAB9A
SCHEMBL13943964 0.84 MAPT (0.41) KMT2ANPSR1MAPTHTTRAB9A

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 8 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
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
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
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

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 KMT2A 1324/4885NPSR1 1652/4885MAPT 4600/4885
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 KMT2A 1262/4885NPSR1 1833/4885MAPT 4371/4885
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 KMT2A 1262/4885NPSR1 1833/4885MAPT 4371/4885
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 KMT2A 1209/4885NPSR1 1404/4885MAPT 4602/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE KMT2A 1777/4885NPSR1 4629/4885MAPT 2025/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE KMT2A 1777/4885NPSR1 4629/4885MAPT 2025/4885

“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.