SCHEMBL2827923

SCHEMBL2827923

COc1ccc(-c2nnc3c4ccccc4c(Nc4ccc(C(=O)NCCN5CCOCC5)cc4)nn23)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
GAA P10253 1/20 0.54
BCL3 P20749 1/20 0.54
PIM1 P11309 1/20 0.53
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
HPGDS O60760 3/20 0.51
CD274 Q9NZQ7 4/20 0.50
KDM5B Q9UGL1 2/20 0.50
TDP1 Q9NUW8 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 1/20 0.49
EPHX2 P34913 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL2828672 0.92 CYP2C9 (0.55) ALDH1A1GAABCL3PIM1HPGD
Hydrochloric Acid SCHEMBL2825723 0.91 CYP2C9 (0.54) ALDH1A1GAABCL3PIM1HPGD
SCHEMBL2826098 0.86 MAPT (0.52) MAPT
SCHEMBL2828751 0.86 HPGD (0.58) ALDH1A1HPGDKDM4EPOLBMAPT
SCHEMBL2826599 0.85 MAPK1 (0.60) ALDH1A1PIM1HPGDKDM4EMAPT
SCHEMBL2825200 0.84 PDE2A (0.57) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL2827904 0.84 GABRA1 (0.49) GAAHPGDMAPT
SCHEMBL2026309 0.82 PDE2A (0.66) ALDH1A1PIM1HSD17B10POLBCYP2C9
SCHEMBL2825724 0.82 MAPT (0.56) KDM4EPOLBMAPT
SCHEMBL2832045 0.82 MAPT (0.56) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 717/4885GAA 1297/4885BCL3 4694/4885
US-20090005372-A1 Triazolophthalazines PDE2A, PDE12, PDE3A ALDH1A1 717/4885GAA 1297/4885BCL3 4694/4885

“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.