SCHEMBL3746280

SCHEMBL3746280

Nc1nc(N)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 1.00
DHFR P00374 5/20 1.00
ALDH1A1 P00352 3/20 0.83
MTOR P42345 2/20 0.83
KDM4E B2RXH2 2/20 0.83
JAK2 O60674 1/20 0.83
GMNN O75496 1/20 0.83
LMNA P02545 1/20 0.83
TP53 P04637 1/20 0.83
CYP1A2 P05177 1/20 0.83
GLA P06280 1/20 0.83
CTSG P08311 1/20 0.83
CYP3A4 P08684 1/20 0.83
GAA P10253 1/20 0.83
CYP2D6 P10635 1/20 0.83
CYP2C9 P11712 1/20 0.83
PKM P14618 1/20 0.83
HPGD P15428 1/20 0.83
TSHR P16473 1/20 0.83
ALOX12 P18054 1/20 0.83

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
Triamterene SCHEMBL40707 0.91 ALDH1A1 (1.00) PIK3CGDHFRALDH1A1MTORKDM4E
Triamterene SCHEMBL29531410 0.91 ALDH1A1 (1.00) PIK3CGDHFRALDH1A1MTORKDM4E
Triamterene SCHEMBL5421685 0.91 ALDH1A1 (1.00) PIK3CGDHFRALDH1A1MTORKDM4E
SCHEMBL10894514 0.91 ALDH1A1 (0.87) PIK3CGDHFRALDH1A1MTORKDM4E
Triamterene SCHEMBL11044581 0.89 ALDH1A1 (0.97) PIK3CGDHFRALDH1A1MTORKDM4E
SCHEMBL9682028 0.86 PIK3CG (0.76) PIK3CGDHFRALDH1A1MTORKDM4E
SCHEMBL6061478 0.86 PIK3CG (0.76) PIK3CGDHFRALDH1A1MTORKDM4E
SCHEMBL32690160 0.85 MAPT (1.00) PIK3CGDHFRALDH1A1MTORKDM4E
SCHEMBL14524242 0.82 PIK3CG (0.69) PIK3CGDHFRALDH1A1MTORKDM4E
SCHEMBL14315423 0.82 PIK3CG (0.70) PIK3CGDHFRALDH1A1MTORKDM4E

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-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-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-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 PIK3CG 2378/4885DHFR 1951/4885ALDH1A1 745/4885
US-20050282814-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 PIK3CG 2378/4885DHFR 1951/4885ALDH1A1 745/4885
US-20070208019-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 PIK3CG 2378/4885DHFR 1951/4885ALDH1A1 745/4885
US-20100278811-A1 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF RBP1, RBP4, VCAM1 PIK3CG 2378/4885DHFR 1951/4885ALDH1A1 745/4885
US-20040167198-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 PIK3CG 2378/4885DHFR 1951/4885ALDH1A1 745/4885

“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.