SCHEMBL497340

SCHEMBL497340

Nc1ccc(Nc2nn3c(-c4ccccc4C(F)(F)F)nnc3c3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.51
KAT2B Q92831 1/20 0.46
HSD11B1 P28845 8/20 0.42
EPHX2 P34913 1/20 0.41
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C19 P33261 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
ALOX15 P16050 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
SCHEMBL496764 0.88 PDE2A (0.44) PDE2AKAT2BHSD11B1EPHX2
SCHEMBL2823870 0.88 PDE2A (0.46) PDE2AKAT2BCYP1A2CYP3A4CYP2D6
SCHEMBL496651 0.86 PDE2A (0.46) PDE2AKAT2BHSD11B1EPHX2MEN1
SCHEMBL496524 0.85 PDE2A (0.53) PDE2AKAT2BMEN1KMT2ATP53
SCHEMBL496849 0.83 PDE2A (0.56) PDE2AKAT2BTP53MAPTHPGD
SCHEMBL2824766 0.81 POLB (0.41) PDE2AKAT2BMEN1KMT2AKDM4E
SCHEMBL496930 0.80 PDE2A (0.51) PDE2ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL496714 0.80 PDE2A (0.51) PDE2AKAT2BTP53MAPTTSHR
SCHEMBL496929 0.79 ABCG2 (0.44) PDE2AALDH1A1KMT2AKDM4E
SCHEMBL496525 0.77 CA9 (0.41) PDE2AKAT2BHSD11B1MEN1ALDH1A1

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 1/4885KAT2B 1046/4885HSD11B1 196/4885
US-20090005372-A1 Triazolophthalazines PDE2A, PDE12, PDE3A PDE2A 1/4885KAT2B 1046/4885HSD11B1 196/4885
US-20080312225-A1 Triazolophthalazines PDE2A, PDE3A, PDE12 PDE2A 1/4885KAT2B 1316/4885HSD11B1 233/4885

“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.