SCHEMBL2029644

SCHEMBL2029644

COC(=O)c1ccc(-c2nnc3c4ccccc4c(Nc4ccc(N5CCOCC5)cc4)nn23)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.63
MAPT P10636 7/20 0.48
MAPK1 P28482 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HPGD P15428 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PIK3CA P42336 1/20 0.47
MTOR P42345 1/20 0.47
PIK3CG P48736 1/20 0.47
KDR P35968 2/20 0.46
TP53 P04637 3/20 0.45
GAA P10253 2/20 0.45
ROCK1 Q13464 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL12971403 0.91 PDE2A (0.65) PDE2AMAPTMAPK1NPSR1HPGD
SCHEMBL2028004 0.91 PDE2A (0.60) PDE2AMAPTMAPK1NPSR1HPGD
SCHEMBL2028333 0.90 PDE2A (0.76) PDE2AMAPTMAPK1NPSR1KDR
SCHEMBL2825200 0.89 PDE2A (0.57) PDE2AMAPTMAPK1HPGDTP53
SCHEMBL2026309 0.88 PDE2A (0.66) PDE2AMAPTMAPK1NPSR1KDR
SCHEMBL2026204 0.87 PDE2A (0.74) PDE2AMAPTMAPK1NPSR1MEN1
SCHEMBL2026019 0.84 PDE2A (0.66) PDE2AMAPTMAPK1NPSR1TP53
SCHEMBL2827153 0.84 MAPT (0.58) MAPTNPSR1KDRTP53MEN1
SCHEMBL2828751 0.83 HPGD (0.58) PDE2AMAPTNPSR1HPGDRXFP1
SCHEMBL12971337 0.83 PDE2A (0.62) PDE2AMAPTMAPK1NPSR1HPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874775-B1 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS NYCOMED GMBH (DE) 2012-10-10 EP claimed
US-20110136803-A1 Triazolophthalazines NYCOMED GMBH (DE) 2011-06-09 US claimed
US-7671050-B2 Triazolophthalazines NYCOMED GMBH (DE) 2010-03-02 US claimed
US-20080280907-A1 Triazolophthalazines AALTANA PHARMA AG (DE) 2008-11-13 US claimed
EP-1874775-A2 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS Nycomed GmbH (DE) 2008-01-09 EP claimed
WO-2006072612-A2 TRIAZOLOPHTHALAZINES AS PDE2- INHIBITORS NYCOMED GMBH (DE) 2006-07-13 WO claimed

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-20080280907-A1 Triazolophthalazines PDE2A, PDE3A, PDE12 PDE2A 1/4885MAPT 3537/4885MAPK1 1338/4885
US-20110136803-A1 Triazolophthalazines PDE2A, PDE3A, PDE12 PDE2A 1/4885MAPT 3537/4885MAPK1 1338/4885

“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.