SCHEMBL496809

SCHEMBL496809

CN(C)c1ccccc1-c1nnc2c3ccccc3c(Nc3ccc([N+](=O)[O-])cc3)nn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.46
TOP2A P11388 1/20 0.42
ABCG2 Q9UNQ0 3/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
PTPN1 P18031 1/20 0.39
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BCL2 P10415 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL496579 0.90 ABCG2 (0.44) PDE2AABCG2KMT2APOLBKDM4E
SCHEMBL496714 0.86 PDE2A (0.51) PDE2AMAPTPOLB
SCHEMBL496603 0.85 PDE2A (0.48) PDE2ATOP2AABCG2KMT2AMEN1
SCHEMBL496651 0.82 PDE2A (0.46) PDE2ATOP2AABCG2KMT2AMEN1
SCHEMBL496542 0.79 PDE2A (0.44) PDE2AKMT2AMEN1MAPTPOLB
SCHEMBL496641 0.79 MEN1 (0.44) PDE2ATOP2AABCG2KMT2AMEN1
SCHEMBL496652 0.77 ABCG2 (0.47) PDE2AABCG2KMT2AMAPTPOLB
SCHEMBL12971550 0.76 TNNI3K (0.44) PDE2AKMT2AMEN1MAPTPOLB
SCHEMBL496822 0.74 ABCG2 (0.46) PDE2AABCG2KMT2AMEN1POLB
SCHEMBL497281 0.74 ABCG2 (0.46) PDE2AABCG2KMT2APOLBKDM4E

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 5 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-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
WO-2006072615-A2 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS NYCOMED GMBH (DE) 2006-07-13 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 (1 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-20080312225-A1 Triazolophthalazines PDE2A, PDE3A, PDE12 PDE2A 1/4885TOP2A 63/4885ABCG2 2008/4885

“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.