SCHEMBL3742316

SCHEMBL3742316

Nc1ncnc2nc(-c3ccccc3)c(-c3ccccc3)nc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 4/20 0.76
PIK3CG P48736 5/20 0.71
DHFR P00374 1/20 0.62
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.55
MAPT P10636 3/20 0.55
GAA P10253 2/20 0.51
HPGD P15428 2/20 0.51
TSHR P16473 2/20 0.51
HSD17B10 Q99714 2/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 2/20 0.51
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
JAK2 O60674 1/20 0.51
GMNN O75496 1/20 0.51
CYP1A2 P05177 1/20 0.51
GLA P06280 1/20 0.51
CTSG P08311 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL3532692 0.83 PIK3CG (1.00) ADKPIK3CGDHFRMAPTMTOR
SCHEMBL3737062 0.81 PIK3CG (1.00) ADKPIK3CGMTORPI4KBPIK3CD
Bromide SCHEMBL4361882 0.80 PIK3CG (0.97) ADKPIK3CGMTORPI4KBPIK3CD
Hydrochloric Acid SCHEMBL3537202 0.80 PIK3CG (0.97) ADKPIK3CGMTORPI4KBPIK3CD
SCHEMBL4361291 0.79 PIK3CG (0.53) ADKPIK3CGDHFRALDH1A1KDM4E
SCHEMBL4356145 0.78 PIK3CG (0.53) ADKPIK3CGDHFRKDM4ELMNA
Sulfuric Acid SCHEMBL3536726 0.77 PIK3CG (0.86) ADKPIK3CGDHFRMAPTMTOR
SCHEMBL13019024 0.77 PIK3CG (0.86) ADKPIK3CGKDM4EMAPTHPGD
SCHEMBL3746280 0.76 PIK3CG (1.00) ADKPIK3CGDHFRALDH1A1KDM4E
SCHEMBL3799709 0.76 PIK3CG (0.62) ADKPIK3CGKDM4EHPGDCYP1A2

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 21 patents — showing the first 20. 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
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-20100330030-A1 Vasculostatic Agents and Methods of Use Thereof TARGEGEN, INC. (US) 2010-12-30 US 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
US-20100278811-A1 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF TARGEGEN INC. 2010-11-04 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-2039683-A2 Vasculostatic agents and methods of use thereof Targegen, Inc. (US) 2009-03-25 EP disclosed
US-20070208019-A1 Vasculostatic agents and methods of use thereof TARGEGEN, INC. 2007-09-06 US disclosed
US-20070208019-A1 Vasculostatic agents and methods of use thereof TARGEGEN, INC. 2007-09-06 US 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-7208493-B2 Vasculostatic agents and methods of use thereof TARGEGEN, INC. (US) 2007-04-24 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 ADK 2646/4885PIK3CG 2378/4885DHFR 1951/4885
US-20050282814-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 ADK 2646/4885PIK3CG 2378/4885DHFR 1951/4885
US-20070208019-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 ADK 2646/4885PIK3CG 2378/4885DHFR 1951/4885
US-20100278811-A1 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF RBP1, RBP4, VCAM1 ADK 2646/4885PIK3CG 2378/4885DHFR 1951/4885
US-20040167198-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 ADK 2646/4885PIK3CG 2378/4885DHFR 1951/4885

“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.