SCHEMBL3745255

SCHEMBL3745255

Nc1ncnc2nc(-c3ccc(O)c(O)c3)cnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 1.00
ADK P55263 3/20 0.59
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL3742485 0.84 PIK3CG (0.72) PIK3CGADK
SCHEMBL4788632 0.83 PIK3CG (0.71) PIK3CGADK
SCHEMBL3736445 0.83 PIK3CG (1.00) PIK3CGADKPIK3CAPIK3CBHDAC6
SCHEMBL3533560 0.79 PIK3CG (1.00) PIK3CGADKPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL3536157 0.78 PIK3CG (0.97) PIK3CGADKPIK3CAPIK3CB
SCHEMBL11453447 0.78 ADK (0.72) PIK3CGADKPIK3CAPIK3CB
SCHEMBL11446163 0.77 ADK (0.67) PIK3CGADK
SCHEMBL11445170 0.76 PIK3CG (0.61) PIK3CGADKPIK3CAPIK3CBHDAC6
SCHEMBL11446157 0.76 MAP4K4 (0.61) PIK3CGADK
SCHEMBL15059842 0.75 PIK3CG (0.76) PIK3CGPIK3CAPIK3CBHDAC6

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 18 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
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
US-20040167198-A1 Vasculostatic agents and methods of use thereof TARGEGEN, INC. 2004-08-26 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 (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 2378/4885ADK 2646/4885PIK3CA 3097/4885
US-20050282814-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 PIK3CG 2378/4885ADK 2646/4885PIK3CA 3097/4885
US-20070208019-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 PIK3CG 2378/4885ADK 2646/4885PIK3CA 3097/4885
US-20100278811-A1 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF RBP1, RBP4, VCAM1 PIK3CG 2378/4885ADK 2646/4885PIK3CA 3097/4885
US-20040167198-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 PIK3CG 2378/4885ADK 2646/4885PIK3CA 3097/4885

“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.