SCHEMBL2823650

SCHEMBL2823650

COc1ccc(-c2nnc3c4ccccc4c(Nc4cccc(NC(=O)c5ccncc5)c4)nn23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
POLB P06746 4/20 0.54
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.48
KCNK9 Q9NPC2 1/20 0.47
RXFP1 Q9HBX9 2/20 0.46
KDM4E B2RXH2 2/20 0.46
AURKB Q96GD4 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
KCNK3 O14649 2/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL2828630 0.95 MAPT (0.57) MAPTPOLBNPC1RAB9ANPSR1
SCHEMBL2827889 0.94 MAPT (0.61) MAPTPOLBNPC1RAB9ANPSR1
SCHEMBL2825894 0.92 MAPT (0.51) MAPTPOLBNPC1RAB9ANPSR1
SCHEMBL2827702 0.92 MAPT (0.53) MAPTPOLBNPC1RAB9ANPSR1
SCHEMBL2823796 0.91 SMN1; SMN2 (0.53) MAPTPOLBNPC1RAB9ANPSR1
SCHEMBL2851345 0.90 MAPT (0.55) MAPTPOLBNPC1RAB9ANPSR1
SCHEMBL2825351 0.89 MAPT (0.56) MAPTPOLBNPC1RAB9ANPSR1
SCHEMBL2831680 0.89 MAPT (0.55) MAPTPOLBNPC1RAB9ANPSR1
SCHEMBL2832052 0.89 MAPT (0.56) MAPTPOLBNPC1RAB9ANPSR1
SCHEMBL2825452 0.89 MAPT (0.54) MAPTPOLBNPC1RAB9ANPSR1

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 MAPT 3816/4885POLB 2057/4885NPC1 3556/4885
US-20090005372-A1 Triazolophthalazines PDE2A, PDE12, PDE3A MAPT 3816/4885POLB 2057/4885NPC1 3556/4885

“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.