SCHEMBL13019199

SCHEMBL13019199

Nc1ccc2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 1.00
KMT2A Q03164 3/20 0.67
TLR9 Q9NR96 2/20 0.67
ATM Q13315 1/20 0.67
SRC P12931 1/20 0.53
PIK3CD O00329 2/20 0.50
PIK3CA P42336 2/20 0.50
PIK3CB P42338 2/20 0.50
PIK3C2B O00750 1/20 0.50
PDXK O00764 1/20 0.50
GAK O14976 1/20 0.50
MAP3K7 O43318 1/20 0.50
RIPK2 O43353 1/20 0.50
PIP5K1C O60331 1/20 0.50
STK16 O75716 1/20 0.50
PIK3C2G O75747 1/20 0.50
PRKD3 O94806 1/20 0.50
OXSR1 O95747 1/20 0.50
LATS1 O95835 1/20 0.50
ABL1 P00519 1/20 0.50

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
Hydrochloric Acid SCHEMBL3741773 0.98 PIK3CG (0.97) PIK3CGKMT2ATLR9ATMSRC
SCHEMBL23064051 0.86 PIK3CG (0.75) PIK3CGKMT2ATLR9ATMSRC
SCHEMBL10543488 0.84 PIK3CG (0.73) PIK3CGKMT2ASRCPIK3CDPIK3CA
SCHEMBL28041643 0.82 KMT2A (0.81) PIK3CGKMT2ATLR9ATMALDH1A1
SCHEMBL28041435 0.82 KMT2A (0.81) PIK3CGKMT2ATLR9ATMALDH1A1
SCHEMBL13019201 0.81 KMT2A (0.68) PIK3CGKMT2ATLR9ATMALDH1A1
SCHEMBL11792682 0.80 KMT2A (1.00) PIK3CGKMT2ATLR9ATMALDH1A1
Hydrochloric Acid SCHEMBL3729657 0.79 PIK3CG (0.66) PIK3CGKMT2ATLR9ATMALDH1A1
SCHEMBL10546466 0.79 PIK3CG (0.65) PIK3CGKMT2ASRCPIK3CDPIK3CA
SCHEMBL28044883 0.79 KMT2A (0.70) PIK3CGKMT2ATLR9ATMSRC

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 8 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-20100330030-A1 Vasculostatic Agents and Methods of Use Thereof TARGEGEN, INC. (US) 2010-12-30 US 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 2378/4885KMT2A 4864/4885TLR9 1174/4885
US-20070208019-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 PIK3CG 2378/4885KMT2A 4864/4885TLR9 1174/4885

“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.