SCHEMBL496930

SCHEMBL496930

COc1ccccc1-c1nnc2c3ccccc3c(Nc3ccc(N)cc3)nn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.51
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RXFP1 Q9HBX9 2/20 0.45
HPGD P15428 1/20 0.45
TP53 P04637 1/20 0.43
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA1 P14867 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL496760 0.88 RXFP1 (0.46) PDE2AMAPTALDH1A1MAPK1RXFP1
SCHEMBL2829169 0.88 KDR (0.49) PDE2AALDH1A1L3MBTL1RXFP1HPGD
SCHEMBL496593 0.86 PDE2A (0.46) PDE2AMAPTALDH1A1MAPK1RXFP1
SCHEMBL496524 0.83 PDE2A (0.53) PDE2AMAPTTP53GABRG2GABRB3
SCHEMBL496849 0.83 PDE2A (0.56) PDE2AMAPTMAPK1RXFP1HPGD
SCHEMBL496714 0.82 PDE2A (0.51) PDE2AMAPTTP53GABRG2GABRB3
SCHEMBL496638 0.82 MAPT (0.63) MAPTTP53GABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL2828810 0.81 MAPT (0.62) MAPTTP53GABRG2GABRB3GABRA5
SCHEMBL2824855 0.81 MAPT (0.44) PDE2AMAPTALDH1A1RXFP1HPGD
SCHEMBL497340 0.80 PDE2A (0.51) PDE2AMAPTALDH1A1HPGDTP53

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 1/4885MAPT 3816/4885ALDH1A1 717/4885
US-20090005372-A1 Triazolophthalazines PDE2A, PDE12, PDE3A PDE2A 1/4885MAPT 3816/4885ALDH1A1 717/4885
US-20080312225-A1 Triazolophthalazines PDE2A, PDE3A, PDE12 PDE2A 1/4885MAPT 3537/4885ALDH1A1 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.