SCHEMBL496490

SCHEMBL496490

Nc1cccc(Nc2nn3c(-c4ccc(Br)cc4)nnc3c3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 3/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 1/20 0.40
KAT2B Q92831 1/20 0.40
APAF1 O14727 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
PDE2A O00408 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
Dimethylamine SCHEMBL496544 0.88 NPC1 (0.52) RXFP1SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL496573 0.87 PDE2A (0.46) RXFP1SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL496586 0.86 MAPT (0.60) SMN1; SMN2NPC1RAB9ANPSR1MAPT
SCHEMBL2823225 0.86 KDR (0.51) RXFP1POLBNPSR1KDM4EMAPT
SCHEMBL496562 0.84 PDE2A (0.48) RXFP1SMN1; SMN2POLBNPSR1KDM4E
SCHEMBL496677 0.83 ABCG2 (0.47) SMN1; SMN2POLBKDM4E
SCHEMBL496627 0.81 KDM4E (0.43) RXFP1SMN1; SMN2POLBNPSR1KDM4E
SCHEMBL496632 0.81 MAPT (0.50) RXFP1SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL496563 0.80 PDE2A (0.46) RXFP1SMN1; SMN2POLBNPSR1KDM4E
SCHEMBL2825175 0.80 PDE2A (0.61) RXFP1SMN1; SMN2NPC1RAB9APOLB

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 RXFP1 223/4885SMN1; SMN2 2985/4885NPC1 3556/4885
US-20090005372-A1 Triazolophthalazines PDE2A, PDE12, PDE3A RXFP1 223/4885SMN1; SMN2 2985/4885NPC1 3556/4885
US-20080312225-A1 Triazolophthalazines PDE2A, PDE3A, PDE12 RXFP1 292/4885SMN1; SMN2 2158/4885NPC1 3725/4885

“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.