SCHEMBL3737546

SCHEMBL3737546

N#Cc1cccc(-c2ccc3nc(N)nnc3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.62
ADORA2A P29274 2/20 0.53
MAP4K4 O95819 1/20 0.53
ADORA1 P30542 1/20 0.49
PIK3CG P48736 1/20 0.45
PABPC1 P11940 1/20 0.45
CLK4 Q9HAZ1 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
XDH P47989 1/20 0.44
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA1 P14867 1/20 0.43
PDPK1 O15530 1/20 0.43
NOTUM Q6P988 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
SCHEMBL3740123 0.79 SRC (0.75) SRCADORA2AMAP4K4ADORA1PIK3CG
SCHEMBL12111511 0.78 ADORA2A (0.51) ADORA2AMAP4K4ADORA1CLK4ALDH1A1
SCHEMBL3737100 0.77 SRC (1.00) SRCMAP4K4PIK3CGPABPC1CYP1A2
SCHEMBL31061003 0.77 SRC (1.00) SRCMAP4K4PIK3CGPABPC1CYP1A2
SCHEMBL12111633 0.75 ALDH1A1 (0.57) ADORA2AMAP4K4ADORA1CLK4ALDH1A1
SCHEMBL12111559 0.75 ALDH1A1 (0.57) ADORA2AMAP4K4ADORA1CLK4ALDH1A1
SCHEMBL12111579 0.75 ALDH1A1 (0.57) ADORA2AMAP4K4ADORA1CLK4ALDH1A1
SCHEMBL12111674 0.75 ALDH1A1 (0.57) ADORA2AMAP4K4ADORA1CLK4ALDH1A1
SCHEMBL4355162 0.74 ADORA2A (0.57) ADORA2AMAP4K4ADORA1CLK4ALDH1A1
SCHEMBL2323007 0.73 ADORA2A (0.72) ADORA2AADORA1

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 SRC 4380/4885ADORA2A 910/4885MAP4K4 2938/4885
US-20050282814-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 SRC 4380/4885ADORA2A 910/4885MAP4K4 2938/4885
US-20070208019-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 SRC 4380/4885ADORA2A 910/4885MAP4K4 2938/4885
US-20100278811-A1 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF RBP1, RBP4, VCAM1 SRC 4380/4885ADORA2A 910/4885MAP4K4 2938/4885
US-20040167198-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 SRC 4380/4885ADORA2A 910/4885MAP4K4 2938/4885

“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.