SCHEMBL2827797

SCHEMBL2827797

COc1ccc(-c2nnc3c4ccccc4c(Nc4cccc(NC(=O)Cc5ccccc5)c4)nn23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.52
GABRG2 P18507 3/20 0.52
GABRB3 P28472 3/20 0.52
GABRA5 P31644 3/20 0.52
GABRA3 P34903 3/20 0.52
GABRA2 P47869 3/20 0.52
USP2 O75604 1/20 0.50
MAPT P10636 8/20 0.49
LMNA P02545 3/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
TP53 P04637 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 2/20 0.47
POLB P06746 3/20 0.47
NLRP3 Q96P20 1/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 1/20 0.46
CYP2C9 P11712 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
SCHEMBL2825201 0.97 MAPT (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2827557 0.92 MAPT (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2829203 0.91 MAPT (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2829764 0.90 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2828885 0.90 MAPT (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2825052 0.90 MAPT (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2826309 0.89 MAPT (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2827889 0.88 MAPT (0.61) GABRA1GABRG2GABRB3GABRA5GABRA3
Cyclopropane SCHEMBL2825655 0.88 MAPT (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2828301 0.88 POLB (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3

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 GABRA1 2970/4885GABRG2 2916/4885GABRB3 3031/4885
US-20090005372-A1 Triazolophthalazines PDE2A, PDE12, PDE3A GABRA1 2970/4885GABRG2 2916/4885GABRB3 3031/4885

“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.