SCHEMBL496849

SCHEMBL496849

Nc1ccc(Nc2nn3c(-c4ccccc4Br)nnc3c3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.56
PDE10A Q9Y233 1/20 0.44
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 2/20 0.39
KAT2B Q92831 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
KDM1A O60341 1/20 0.35
ENPP3 O14638 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL496562 0.87 PDE2A (0.48) PDE2APDE10AMAPTTP53POLB
SCHEMBL2828064 0.87 PDE2A (0.51) PDE2AMAPTPOLBHTTENPP3
SCHEMBL496524 0.86 PDE2A (0.53) PDE2APDE10AMAPTTP53POLB
SCHEMBL496633 0.85 PDE2A (0.51) PDE2AMAPTPOLBHPGDMAPK1
SCHEMBL496573 0.83 PDE2A (0.46) PDE2AMAPTKAT2BSMN1; SMN2NPC1
SCHEMBL496930 0.83 PDE2A (0.51) PDE2AMAPTTP53SMN1; SMN2NPC1
SCHEMBL497340 0.83 PDE2A (0.51) PDE2AMAPTTP53KAT2BTSHR
SCHEMBL496714 0.83 PDE2A (0.51) PDE2AMAPTTP53POLBKAT2B
Dimethylamine SCHEMBL496715 0.80 NPC1 (0.56) PDE2AMAPTTP53SMN1; SMN2NPC1
SCHEMBL497281 0.78 ABCG2 (0.46) PDE2APOLBSMN1; SMN2GAA

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 1/4885PDE10A 17/4885MAPT 3816/4885
US-20090005372-A1 Triazolophthalazines PDE2A, PDE12, PDE3A PDE2A 1/4885PDE10A 17/4885MAPT 3816/4885
US-20080312225-A1 Triazolophthalazines PDE2A, PDE3A, PDE12 PDE2A 1/4885PDE10A 17/4885MAPT 3537/4885

“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.