SCHEMBL496538

SCHEMBL496538

COc1ccccc1-c1nnc2c3ccccc3c(Nc3cccc([N+](=O)[O-])c3)nn12

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 14/20 0.58
ABCB1 P08183 1/20 0.49
RXFP1 Q9HBX9 2/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
PDE5A O76074 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL496593 0.90 PDE2A (0.46) ABCG2ABCB1RXFP1ALDH1A1HPGD
SCHEMBL496652 0.89 ABCG2 (0.47) ABCG2ABCB1ALDH1A1KMT2AMAPT
SCHEMBL496822 0.86 ABCG2 (0.46) ABCG2ALDH1A1KMT2AMEN1PDE5A
SCHEMBL497281 0.86 ABCG2 (0.46) ABCG2ALDH1A1KMT2APDE5AKDM4E
SCHEMBL496579 0.85 ABCG2 (0.44) ABCG2ABCB1ALDH1A1KMT2APDE5A
SCHEMBL496760 0.84 RXFP1 (0.46) ABCG2RXFP1ALDH1A1HPGDMAPT
SCHEMBL496929 0.83 ABCG2 (0.44) ABCG2ALDH1A1KMT2APDE5AKDM4E
SCHEMBL2824855 0.81 MAPT (0.44) RXFP1ALDH1A1HPGDKMT2AMEN1
SCHEMBL496677 0.80 ABCG2 (0.47) ABCG2ABCB1ALDH1A1KMT2APDE5A
SCHEMBL496930 0.79 PDE2A (0.51) RXFP1ALDH1A1HPGDMAPTSMN1; SMN2

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-1836207-B1 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS NYCOMED GMBH (DE) 2012-10-10 EP disclosed
US-8106047-B2 (4-Methoxyphenyl)-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-amine; phosphodiesterase inhibitors; septic shock or vascular edema; neoangiogenesis or inflammatory disease NYCOMED GMBH (DE) 2012-01-31 US disclosed
US-7851472-B2 Triazolophthalazines NYCOMED GMBH (DE) 2010-12-14 US disclosed
US-20100286140-A1 TRIAZOLOPHTHALAZINES NYCOMED GMBH (DE) 2010-11-11 US disclosed
EP-1791543-B1 TRIAZOLOPHTHALAZINES NYCOMED GMBH (DE) 2010-06-16 EP disclosed
US-20090005372-A1 Triazolophthalazines ALTANA PHARMA AG (DE) 2009-01-01 US disclosed
US-20080312225-A1 Triazolophthalazines NYCOMED GMBH (DE) 2008-12-18 US disclosed
EP-1836207-A2 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS Nycomed GmbH (DE) 2007-09-26 EP disclosed
EP-1791543-A2 TRIAZOLOPHTHALAZINES Altana Pharma AG (DE) 2007-06-06 EP disclosed
WO-2006072615-A2 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS NYCOMED GMBH (DE) 2006-07-13 WO disclosed
WO-2006024640-A2 TRIAZOLOPHTHALAZINES ALTANA PHARMA AG (DE) 2006-03-09 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-20100286140-A1 TRIAZOLOPHTHALAZINES PDE2A, PDE12, PDE3A ABCG2 1937/4885ABCB1 1011/4885RXFP1 223/4885
US-20090005372-A1 Triazolophthalazines PDE2A, PDE12, PDE3A ABCG2 1937/4885ABCB1 1011/4885RXFP1 223/4885
US-20080312225-A1 Triazolophthalazines PDE2A, PDE3A, PDE12 ABCG2 2008/4885ABCB1 1334/4885RXFP1 292/4885

“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.