SCHEMBL496641

SCHEMBL496641

O=[N+]([O-])c1ccc(Nc2nn3c(-c4ccc(Br)cc4)nnc3c3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.43
AURKA O14965 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
TOP2A P11388 1/20 0.42
MAPT P10636 2/20 0.42
PDE2A O00408 1/20 0.42
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL496677 0.89 ABCG2 (0.47) KMT2ASMN1; SMN2ABCG2POLBKDM4E
SCHEMBL496633 0.85 PDE2A (0.51) MEN1KMT2AABCG2TOP2AMAPT
SCHEMBL496573 0.85 PDE2A (0.46) LMNASMN1; SMN2MAPTPDE2ARXFP1
SCHEMBL496603 0.81 PDE2A (0.48) MEN1KMT2ASMN1; SMN2ABCG2TOP2A
SCHEMBL2029914 0.81 MAPT (0.62) LMNASMN1; SMN2MAPTNPSR1
SCHEMBL496651 0.79 PDE2A (0.46) MEN1KMT2AABCG2TOP2AMAPT
SCHEMBL496593 0.79 PDE2A (0.46) ABCG2TOP2AMAPTPDE2ARXFP1
SCHEMBL496809 0.79 PDE2A (0.46) MEN1KMT2AABCG2TOP2AMAPT
SCHEMBL496490 0.78 RXFP1 (0.43) LMNASMN1; SMN2MAPTPDE2APOLB
SCHEMBL497281 0.75 ABCG2 (0.46) KMT2ASMN1; SMN2ABCG2PDE2APOLB

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 5 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-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 MEN1 2547/4885KMT2A 1828/4885LMNA 3745/4885

“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.