SCHEMBL2827889

SCHEMBL2827889

COc1ccc(-c2nnc3c4ccccc4c(Nc4cccc(NC(=O)c5ccccc5)c4)nn23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
POLB P06746 2/20 0.61
KCNK9 Q9NPC2 2/20 0.55
NPSR1 Q6W5P4 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TP53 P04637 1/20 0.53
RXFP1 Q9HBX9 2/20 0.51
ADORA3 P0DMS8 1/20 0.50
KCNK3 O14649 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.48
NLRP3 Q96P20 1/20 0.48
EGFR P00533 1/20 0.48
MAPK14 Q16539 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRG2 P18507 1/20 0.48

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 0.97 MAPT (0.57) MAPTPOLBKCNK9NPSR1NPC1
SCHEMBL2851345 0.95 MAPT (0.55) MAPTPOLBKCNK9NPSR1NPC1
SCHEMBL2832052 0.94 MAPT (0.56) MAPTPOLBKCNK9NPSR1NPC1
SCHEMBL2823650 0.94 MAPT (0.54) MAPTPOLBKCNK9NPSR1NPC1
SCHEMBL2831680 0.93 MAPT (0.55) MAPTPOLBKCNK9NPSR1NPC1
SCHEMBL2825452 0.93 MAPT (0.54) MAPTPOLBNPSR1NPC1RAB9A
SCHEMBL2828040 0.92 MAPT (0.55) MAPTPOLBNPSR1NPC1RAB9A
SCHEMBL2823796 0.92 SMN1; SMN2 (0.53) MAPTPOLBKCNK9NPSR1NPC1
SCHEMBL2825351 0.91 MAPT (0.56) MAPTPOLBKCNK9NPSR1NPC1
Cyclopropane SCHEMBL2825655 0.91 MAPT (0.53) MAPTPOLBNPSR1NPC1RAB9A

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 2057/4885KCNK9 2520/4885
US-20090005372-A1 Triazolophthalazines PDE2A, PDE12, PDE3A MAPT 3816/4885POLB 2057/4885KCNK9 2520/4885

“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.