SCHEMBL496822

SCHEMBL496822

O=[N+]([O-])c1cccc(Nc2nn3c(-c4ccccc4F)nnc3c3ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 11/20 0.46
PDE5A O76074 1/20 0.44
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE2A O00408 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL496652 0.89 ABCG2 (0.47) ABCG2PDE5APOLBKMT2AKDM4E
SCHEMBL496603 0.89 PDE2A (0.48) ABCG2POLBKMT2AKDM4EALDH1A1
SCHEMBL497281 0.88 ABCG2 (0.46) ABCG2PDE5APOLBKMT2AKDM4E
SCHEMBL496929 0.88 ABCG2 (0.44) ABCG2PDE5APOLBKMT2AKDM4E
SCHEMBL496538 0.86 ABCG2 (0.58) ABCG2PDE5APOLBKMT2AKDM4E
SCHEMBL496579 0.86 ABCG2 (0.44) ABCG2PDE5APOLBKMT2AKDM4E
SCHEMBL496563 0.83 PDE2A (0.46) POLBKMT2AKDM4EALDH1A1GAA
SCHEMBL496677 0.82 ABCG2 (0.47) ABCG2PDE5APOLBKMT2AKDM4E
SCHEMBL2831892 0.80 MAPT (0.43) POLBKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL496524 0.78 PDE2A (0.53) POLBKMT2ASMN1; SMN2PDE2ANPC1

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 1937/4885PDE5A 4/4885POLB 2057/4885
US-20090005372-A1 Triazolophthalazines PDE2A, PDE12, PDE3A ABCG2 1937/4885PDE5A 4/4885POLB 2057/4885
US-20080312225-A1 Triazolophthalazines PDE2A, PDE3A, PDE12 ABCG2 2008/4885PDE5A 4/4885POLB 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.