SCHEMBL496652

SCHEMBL496652

Cc1ccccc1-c1nnc2c3ccccc3c(Nc3cccc([N+](=O)[O-])c3)nn12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 11/20 0.47
KMT2A Q03164 2/20 0.46
POLB P06746 3/20 0.45
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45
PDE5A O76074 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE2A O00408 1/20 0.43
DDX3X O00571 1/20 0.43
ABCB1 P08183 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
SCHEMBL496822 0.89 ABCG2 (0.46) ABCG2KMT2APOLBPDE5AKDM4E
SCHEMBL497281 0.89 ABCG2 (0.46) ABCG2KMT2APOLBPDE5AKDM4E
SCHEMBL496579 0.89 ABCG2 (0.44) ABCG2KMT2APOLBPDE5AKDM4E
SCHEMBL496538 0.89 ABCG2 (0.58) ABCG2KMT2APOLBMAPTPDE5A
SCHEMBL496929 0.87 ABCG2 (0.44) ABCG2KMT2APOLBPDE5AKDM4E
SCHEMBL496677 0.83 ABCG2 (0.47) ABCG2KMT2APOLBPDE5AKDM4E
SCHEMBL496632 0.83 MAPT (0.50) KMT2APOLBTP53MAPTKDM4E
SCHEMBL2826130 0.80 MAPT (0.46) POLBTP53MAPTKDM4EPDE2A
SCHEMBL496603 0.78 PDE2A (0.48) ABCG2KMT2APOLBMAPTKDM4E
SCHEMBL496633 0.78 PDE2A (0.51) ABCG2KMT2APOLBMAPTKDM4E

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 1937/4885KMT2A 1624/4885POLB 2057/4885
US-20090005372-A1 Triazolophthalazines PDE2A, PDE12, PDE3A ABCG2 1937/4885KMT2A 1624/4885POLB 2057/4885
US-20080312225-A1 Triazolophthalazines PDE2A, PDE3A, PDE12 ABCG2 2008/4885KMT2A 1828/4885POLB 1897/4885

“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.