SCHEMBL496603

SCHEMBL496603

O=[N+]([O-])c1ccc(Nc2nn3c(-c4ccccc4F)nnc3c3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.48
TOP2A P11388 1/20 0.42
ABCG2 Q9UNQ0 3/20 0.41
MAPT P10636 5/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.38

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) PDE2AABCG2KMT2AMEN1KDM4E
SCHEMBL496633 0.88 PDE2A (0.51) PDE2ATOP2AABCG2MAPTKMT2A
SCHEMBL496651 0.87 PDE2A (0.46) PDE2ATOP2AABCG2MAPTKMT2A
SCHEMBL496593 0.85 PDE2A (0.46) PDE2ATOP2AABCG2MAPTMAPK1
SCHEMBL496809 0.85 PDE2A (0.46) PDE2ATOP2AABCG2MAPTKMT2A
SCHEMBL496524 0.85 PDE2A (0.53) PDE2AMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL496641 0.81 MEN1 (0.44) PDE2ATOP2AABCG2MAPTKMT2A
SCHEMBL12971505 0.79 TOP2A (0.36) PDE2ATOP2AMAPTKMT2AMEN1
SCHEMBL496652 0.78 ABCG2 (0.47) PDE2AABCG2MAPTKMT2AKDM4E
SCHEMBL496563 0.78 PDE2A (0.46) PDE2AMAPTKMT2AMEN1HTT

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 PDE2A 1/4885TOP2A 61/4885ABCG2 1937/4885
US-20090005372-A1 Triazolophthalazines PDE2A, PDE12, PDE3A PDE2A 1/4885TOP2A 61/4885ABCG2 1937/4885
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.