SCHEMBL496632

SCHEMBL496632

Cc1ccccc1-c1nnc2c3ccccc3c(Nc3cccc(N)c3)nn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
TP53 P04637 3/20 0.50
POLB P06746 3/20 0.50
PDE2A O00408 1/20 0.47
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
AHR P35869 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
BLK P51451 1/20 0.39
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
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 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
SCHEMBL496563 0.88 PDE2A (0.46) MAPTTP53POLBPDE2AKDM4E
SCHEMBL2825175 0.88 PDE2A (0.61) MAPTTP53POLBPDE2AKDM4E
SCHEMBL496562 0.88 PDE2A (0.48) MAPTTP53POLBPDE2AKDM4E
SCHEMBL496760 0.87 RXFP1 (0.46) MAPTTP53PDE2ARXFP1ALDH1A1
SCHEMBL496542 0.87 PDE2A (0.44) MAPTTP53POLBPDE2AKDM4E
SCHEMBL2826130 0.85 MAPT (0.46) MAPTTP53POLBPDE2AKDM4E
SCHEMBL496764 0.85 PDE2A (0.44) PDE2AAHR
Dimethylamine SCHEMBL496544 0.84 NPC1 (0.52) MAPTTP53POLBKDM4ENPSR1
SCHEMBL496652 0.83 ABCG2 (0.47) MAPTTP53POLBPDE2AKDM4E
SCHEMBL496490 0.81 RXFP1 (0.43) MAPTPOLBPDE2AKDM4ENPSR1

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 MAPT 3816/4885TP53 4660/4885POLB 2057/4885
US-20090005372-A1 Triazolophthalazines PDE2A, PDE12, PDE3A MAPT 3816/4885TP53 4660/4885POLB 2057/4885
US-20080312225-A1 Triazolophthalazines PDE2A, PDE3A, PDE12 MAPT 3537/4885TP53 4666/4885POLB 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.