SCHEMBL496573

SCHEMBL496573

Nc1ccc(Nc2nn3c(-c4ccc(Br)cc4)nnc3c3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.46
RXFP1 Q9HBX9 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 4/20 0.44
THRB P10828 1/20 0.43
KDR P35968 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
APAF1 O14727 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42
KAT2B Q92831 1/20 0.42

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
SCHEMBL496490 0.87 RXFP1 (0.43) PDE2ARXFP1SMN1; SMN2NPC1RAB9A
Dimethylamine SCHEMBL496715 0.87 NPC1 (0.56) PDE2ARXFP1SMN1; SMN2NPC1RAB9A
SCHEMBL2029914 0.86 MAPT (0.62) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL496638 0.85 MAPT (0.63) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL496641 0.85 MEN1 (0.44) PDE2ARXFP1SMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL2828810 0.84 MAPT (0.62) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL496849 0.83 PDE2A (0.56) PDE2ARXFP1SMN1; SMN2NPC1RAB9A
SCHEMBL2823225 0.80 KDR (0.51) RXFP1MAPTTHRBKDRLMNA
SCHEMBL2024771 0.80 MAPT (0.69) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL2030793 0.79 MAPT (0.67) SMN1; SMN2NPC1RAB9AMAPTLMNA

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 PDE2A 1/4885RXFP1 292/4885SMN1; SMN2 2158/4885

“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.