SCHEMBL3732209

SCHEMBL3732209

CS(=O)(=O)O.Nc1ncnc2nc(-c3ccc(O)c(O)c3)c(-c3ccc(O)c(O)c3)nc12

nearest known ligand 0.82

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG known ✓ P48736 13/20 0.82
PIK3CD known ✓ O00329 4/20 0.38
ABL1 known ✓ P00519 4/20 0.38
EGFR known ✓ P00533 4/20 0.38
PIK3CA known ✓ P42336 4/20 0.38
PIK3CB known ✓ P42338 4/20 0.38
BRAF known ✓ P15056 1/20 0.38
KDR known ✓ P35968 3/20 0.37
ADK P55263 3/20 0.48
JAK3 P52333 1/20 0.38
MTOR P42345 4/20 0.38
PI4KB Q9UBF8 3/20 0.38
PIK3C2B O00750 1/20 0.38
PDXK O00764 1/20 0.38
GAK O14976 1/20 0.38
MAP3K7 O43318 1/20 0.38
RIPK2 O43353 1/20 0.38
PIP5K1C O60331 1/20 0.38
STK16 O75716 1/20 0.38
PIK3C2G O75747 1/20 0.38

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
SCHEMBL3533560 0.91 PIK3CG (1.00) PIK3CGADKJAK3PIK3CDABL1
Hydrochloric Acid SCHEMBL3536157 0.90 PIK3CG (0.97) PIK3CGADKJAK3PIK3CDABL1
SCHEMBL3745440 0.88 PIK3CG (0.70) PIK3CGADKPIK3CDABL1EGFR
SCHEMBL3745443 0.88 PIK3CG (0.70) PIK3CGADKJAK3PIK3CDABL1
SCHEMBL13043249 0.86 PIK3CG (0.85) PIK3CGADKJAK3PIK3CDABL1
SCHEMBL13927979 0.86 PIK3CG (0.89) PIK3CGADKJAK3PIK3CDABL1
SCHEMBL3745260 0.84 PIK3CG (0.83) PIK3CGADKPIK3CDABL1EGFR
Sulfuric Acid SCHEMBL3536726 0.80 PIK3CG (0.86) PIK3CGADKPIK3CDABL1EGFR
SCHEMBL3536162 0.79 PIK3CG (0.75) PIK3CGADKJAK3PIK3CDABL1
SCHEMBL3732212 0.79 PIK3CG (0.54) PIK3CGADKJAK3BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2039683-B1 Vasculostatic agents and methods of use thereof TARGEGEN INC (US) 2012-12-19 EP disclosed
US-20100330030-A1 Vasculostatic Agents and Methods of Use Thereof TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-20100278811-A1 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF TARGEGEN INC. 2010-11-04 US disclosed
EP-2039683-A2 Vasculostatic agents and methods of use thereof Targegen, Inc. (US) 2009-03-25 EP disclosed
EP-1549614-A4 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF TARGEGEN INC (US) 2008-04-16 EP disclosed
US-20070208019-A1 Vasculostatic agents and methods of use thereof TARGEGEN, INC. 2007-09-06 US disclosed
US-7208493-B2 Vasculostatic agents and methods of use thereof TARGEGEN, INC. (US) 2007-04-24 US disclosed
US-20050282814-A1 Vasculostatic agents and methods of use thereof TARGEGEN, INC. (US) 2005-12-22 US disclosed
EP-1549614-A2 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF Targegen, Inc. (US) 2005-07-06 EP disclosed
US-20040167198-A1 Vasculostatic agents and methods of use thereof TARGEGEN, INC. 2004-08-26 US disclosed
WO-2004030635-A2 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF TARGEGEN, INC. (US) 2004-04-15 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 (5 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-20100330030-A1 Vasculostatic Agents and Methods of Use Thereof RBP1, RBP4, VCAM1 PIK3CG 2378/4885PIK3CD 3513/4885ABL1 4387/4885
US-20050282814-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 PIK3CG 2378/4885PIK3CD 3513/4885ABL1 4387/4885
US-20070208019-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 PIK3CG 2378/4885PIK3CD 3513/4885ABL1 4387/4885
US-20100278811-A1 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF RBP1, RBP4, VCAM1 PIK3CG 2378/4885PIK3CD 3513/4885ABL1 4387/4885
US-20040167198-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 PIK3CG 2378/4885PIK3CD 3513/4885ABL1 4387/4885

“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.