SCHEMBL13019162

SCHEMBL13019162

Nc1cncc2nc(-c3ccc(O)c(O)c3)c(-c3ccc(O)c(O)c3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.51
JAK3 P52333 1/20 0.41
ADORA2A P29274 2/20 0.40
ADORA1 P30542 1/20 0.40
QDPR P09417 1/20 0.39
APP P05067 1/20 0.38
POLB P06746 2/20 0.37
ATP4A P20648 2/20 0.36
ATP4B P51164 2/20 0.36
MAPT P10636 2/20 0.36
PPM1B O75688 1/20 0.36
SNCA P37840 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
GRK6 P43250 1/20 0.35
CYP3A4 P08684 1/20 0.35

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 SCHEMBL3738570 0.98 PIK3CG (0.50) PIK3CGJAK3ADORA2AADORA1QDPR
SCHEMBL13019022 0.92 PIK3CG (0.45) PIK3CGJAK3ADORA2AADORA1POLB
SCHEMBL13019158 0.83 PIK3CG (0.47) PIK3CGADORA2AADORA1MAPT
Hydrochloric Acid SCHEMBL3740156 0.81 PIK3CG (0.46) PIK3CGADORA2AADORA1MAPT
SCHEMBL13019167 0.81 PIK3CG (0.56) PIK3CGADORA2AADORA1CYP3A4
Hydrochloric Acid SCHEMBL3745102 0.79 PIK3CG (0.55) PIK3CGADORA2AADORA1
Ammonia Solution, Strong SCHEMBL3776314 0.76 JAK3 (0.41) PIK3CGJAK3ADORA2AADORA1QDPR
SCHEMBL13019159 0.76 KMT2A (0.47) PIK3CGADORA2AADORA1POLBMAPT
Hydrochloric Acid SCHEMBL3732708 0.74 KMT2A (0.46) PIK3CGADORA2AADORA1POLBMAPT
SCHEMBL13019202 0.71 PIK3CG (0.64) PIK3CGJAK3ADORA2AADORA1QDPR

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 2378/4885JAK3 2288/4885ADORA2A 910/4885
US-20070208019-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 PIK3CG 2378/4885JAK3 2288/4885ADORA2A 910/4885

“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.