SCHEMBL4142916

SCHEMBL4142916

CC(OP(=O)(O)CCN1CCN(C(=O)c2c3c(c(O)c4ncccc24)C(=O)N(Cc2ccc(F)cc2)C3)CC1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.35
MAPT P10636 3/20 0.34
RAB9A P51151 3/20 0.34
KMT2A Q03164 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 1/20 0.34
MPI P34949 1/20 0.34
CNR2 P34972 3/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CTSB P07858 1/20 0.33
PRKAA2 P54646 3/20 0.33
CACNA2D1 P54289 1/20 0.32
CNR1 P21554 1/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL13944329 1.00 APP (0.35) APPMAPTRAB9AKMT2ANPSR1
SCHEMBL14424425 0.93 MAPT (0.39) APPMAPTRAB9AKMT2ANPSR1
SCHEMBL14437878 0.93 MAPT (0.39) APPMAPTRAB9AKMT2ANPSR1
SCHEMBL4151011 0.90 KMT2A (0.37) APPMAPTRAB9AKMT2ANPSR1
SCHEMBL13944234 0.90 KMT2A (0.37) APPMAPTRAB9AKMT2ANPSR1
SCHEMBL4151302 0.88 APP (0.40) APPMAPTRAB9AKMT2ANPSR1
SCHEMBL13944328 0.87 APP (0.38) APPMAPTRAB9AKMT2ANPSR1
SCHEMBL13944378 0.86 CNR2 (0.37) CNR2CACNA2D1CNR1ALDH1A1TP53
SCHEMBL4154451 0.86 CNR2 (0.37) CNR2CACNA2D1CNR1ALDH1A1TP53
SCHEMBL13968098 0.85 APP (0.37) APPMAPTRAB9AKMT2ANPSR1

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 12 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-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-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
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 APP 1827/4885MAPT 4600/4885RAB9A 3881/4885
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 APP 1807/4885MAPT 4371/4885RAB9A 3650/4885
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 APP 1807/4885MAPT 4371/4885RAB9A 3650/4885
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 APP 1852/4885MAPT 4602/4885RAB9A 3899/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE APP 2820/4885MAPT 2025/4885RAB9A 2959/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE APP 2820/4885MAPT 2025/4885RAB9A 2959/4885

“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.