SCHEMBL2828751

SCHEMBL2828751

COc1ccc(-c2nnc3c4ccccc4c(Nc4ccc(C(=O)N5CCOCC5)cc4)nn23)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.58
RXFP1 Q9HBX9 1/20 0.58
KDR P35968 1/20 0.54
PDE2A O00408 1/20 0.49
MAPT P10636 9/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 2/20 0.49
TP53 P04637 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
TNKS O95271 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL2825195 0.91 RAB9A (0.53) HPGDRXFP1KDRMAPTSMN1; SMN2
SCHEMBL2826701 0.91 MAPT (0.50) HPGDRXFP1KDRMAPTSMN1; SMN2
SCHEMBL2828929 0.88 MAPT (0.48) HPGDRXFP1KDRMAPTSMN1; SMN2
SCHEMBL2825200 0.87 PDE2A (0.57) HPGDPDE2AMAPTSMN1; SMN2RAB9A
SCHEMBL2026309 0.86 PDE2A (0.66) KDRPDE2AMAPTSMN1; SMN2RAB9A
SCHEMBL2827923 0.86 ALDH1A1 (0.54) HPGDMAPTPOLBKDM4EALDH1A1
SCHEMBL2827153 0.86 MAPT (0.58) KDRMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL2825087 0.85 MAPT (0.57) KDRMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL2826599 0.84 MAPK1 (0.60) HPGDKDRPDE2AMAPTSMN1; SMN2
SCHEMBL2832045 0.84 MAPT (0.56) RXFP1KDRMAPTSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791543-B1 TRIAZOLOPHTHALAZINES NYCOMED GMBH (DE) 2010-06-16 EP claimed
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
EP-1791543-A2 TRIAZOLOPHTHALAZINES Altana Pharma AG (DE) 2007-06-06 EP 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 (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-20100286140-A1 TRIAZOLOPHTHALAZINES PDE2A, PDE12, PDE3A HPGD 341/4885RXFP1 223/4885KDR 1654/4885
US-20090005372-A1 Triazolophthalazines PDE2A, PDE12, PDE3A HPGD 341/4885RXFP1 223/4885KDR 1654/4885

“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.