SCHEMBL496862

SCHEMBL496862

COc1ccc(-c2nnc3c4ccccc4c(Nc4cccc(S(=O)(=O)N5CCOCC5)c4)nn23)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
TP53 P04637 2/20 0.54
ALDH1A1 P00352 5/20 0.49
LMNA P02545 5/20 0.49
KDM4E B2RXH2 4/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.49
HTT P42858 2/20 0.49
MAPK1 P28482 1/20 0.49
USP2 O75604 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 2/20 0.47
PDE2A O00408 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL496775 0.93 MAPT (0.51) MAPTTP53ALDH1A1LMNAKDM4E
SCHEMBL496795 0.92 MAPT (0.52) MAPTTP53ALDH1A1LMNAKDM4E
SCHEMBL496668 0.92 MAPT (0.59) MAPTTP53ALDH1A1LMNAKDM4E
SCHEMBL496550 0.89 MAPT (0.50) MAPTTP53ALDH1A1LMNANPC1
SCHEMBL497338 0.85 CA2 (0.57) MAPTTP53LMNANPC1SMN1; SMN2
SCHEMBL496574 0.84 MAPT (0.54) MAPTTP53ALDH1A1LMNANPC1
SCHEMBL496690 0.83 MAPT (0.52) MAPTTP53ALDH1A1LMNAKDM4E
SCHEMBL2825195 0.82 RAB9A (0.53) MAPTTP53ALDH1A1LMNAKMT2A
SCHEMBL496626 0.81 GAA (0.53) MAPTTP53ALDH1A1LMNAKDM4E
SCHEMBL2028746 0.81 MAPT (0.62) MAPTTP53LMNANPC1SMN1; SMN2

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 9 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 claimed
US-20080312225-A1 Triazolophthalazines NYCOMED GMBH (DE) 2008-12-18 US claimed
EP-1836207-A2 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS Nycomed GmbH (DE) 2007-09-26 EP claimed
WO-2006072615-A2 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS NYCOMED GMBH (DE) 2006-07-13 WO claimed
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-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
WO-2006072615-A2 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS NYCOMED GMBH (DE) 2006-07-13 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 (1 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-20080312225-A1 Triazolophthalazines PDE2A, PDE3A, PDE12 MAPT 3537/4885TP53 4666/4885ALDH1A1 920/4885

“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.