SCHEMBL496562

SCHEMBL496562

Nc1cccc(Nc2nn3c(-c4ccccc4Br)nnc3c3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.48
PDE10A Q9Y233 1/20 0.42
AHR P35869 1/20 0.39
MAPT P10636 4/20 0.38
POLB P06746 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 2/20 0.37
KAT2B Q92831 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PRMT5 O14744 1/20 0.35

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
SCHEMBL496632 0.88 MAPT (0.50) PDE2AAHRMAPTPOLBKDM4E
SCHEMBL496849 0.87 PDE2A (0.56) PDE2APDE10AMAPTPOLBRXFP1
SCHEMBL496563 0.87 PDE2A (0.46) PDE2AAHRMAPTPOLBKDM4E
SCHEMBL2825175 0.87 PDE2A (0.61) PDE2APDE10AAHRMAPTPOLB
SCHEMBL496490 0.84 RXFP1 (0.43) PDE2AMAPTPOLBKDM4ENPSR1
SCHEMBL496760 0.84 RXFP1 (0.46) PDE2AMAPTRXFP1TP53
SCHEMBL496542 0.84 PDE2A (0.44) PDE2AAHRMAPTPOLBKDM4E
SCHEMBL496764 0.84 PDE2A (0.44) PDE2AAHRKAT2B
SCHEMBL497281 0.83 ABCG2 (0.46) PDE2APOLBKDM4EGAAKMT2A
SCHEMBL496671 0.81 PDE2A (0.42) PDE2AMAPTPOLBKDM4ETDP1

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 10 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-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 (2 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 1/4885PDE10A 17/4885AHR 3752/4885
US-20080312225-A1 Triazolophthalazines PDE2A, PDE3A, PDE12 PDE2A 1/4885PDE10A 17/4885AHR 4048/4885

“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.