SCHEMBL3799709

SCHEMBL3799709

Nc1ncnc2ncc(-c3ccccc3)nc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.62
NOS1 P29475 3/20 0.52
ADK P55263 3/20 0.51
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
PPARG P37231 1/20 0.46
MCL1 Q07820 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL11446163 0.87 ADK (0.67) PIK3CGNOS1ADKPI4KAPI4K2B
SCHEMBL3766438 0.84 PIK3CG (0.63) PIK3CGNOS1ADKKDM4EPPARG
SCHEMBL22715806 0.82 PIK3CG (0.61) PIK3CGADKPIK3CAPIK3CBHDAC6
SCHEMBL29439870 0.82 PIK3CG (0.61) PIK3CGADKPIK3CAPIK3CBHDAC6
SCHEMBL8813951 0.80 PIK3CG (0.72) PIK3CGNOS1PIK3CAPIK3CBHDAC6
SCHEMBL7823400 0.80 NOS1 (0.46) PIK3CGNOS1ADK
SCHEMBL7823397 0.78 NOS1 (0.54) PIK3CGNOS1PIK3CAPIK3CBHDAC6
SCHEMBL3742316 0.76 ADK (0.76) PIK3CGADKPIK3CAPIK3CBPI4KA
SCHEMBL15587577 0.75 MAP4K4 (0.70)
SCHEMBL5461542 0.74 NOS1 (0.50) PIK3CGNOS1PIK3CAPIK3CBHDAC6

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 14 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
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
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
EP-1115710-A1 PROCESS FOR PREPARING REGIOSPECIFIC SUBSTITUTED PYRAZINE ISOMERS ABBOTT LABORATORIES (US) 2001-07-18 EP disclosed
WO-2000010983-A1 PROCESS FOR PREPARING REGIOSPECIFIC SUBSTITUTED PYRAZINE ISOMERS ABBOTT LABORATORIES (US) 2000-03-02 WO disclosed
WO-1997021711-A1 PROCESS FOR PREPARING 4-AMINOPTERIDINE DERIVATIVES LONZA AG (CH) 1997-06-19 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 (3 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 2378/4885NOS1 1249/4885ADK 2646/4885
US-20070208019-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 PIK3CG 2378/4885NOS1 1249/4885ADK 2646/4885
US-20100278811-A1 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF RBP1, RBP4, VCAM1 PIK3CG 2378/4885NOS1 1249/4885ADK 2646/4885

“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.