SCHEMBL2828301

SCHEMBL2828301

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
KDM4E B2RXH2 2/20 0.60
RXFP1 Q9HBX9 1/20 0.60
MAPT P10636 6/20 0.54
LMNA P02545 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TP53 P04637 2/20 0.52
ALDH1A1 P00352 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
GABRA1 P14867 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRA2 P47869 2/20 0.47
USP2 O75604 1/20 0.47
KMT2A Q03164 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
SCHEMBL2828630 0.92 MAPT (0.57) POLBNPSR1KDM4ERXFP1MAPT
SCHEMBL2823265 0.91 MAPT (0.57) POLBNPSR1KDM4ERXFP1MAPT
Cyclopropane SCHEMBL2825655 0.91 MAPT (0.53) POLBNPSR1KDM4ERXFP1MAPT
SCHEMBL2827889 0.91 MAPT (0.61) POLBNPSR1KDM4ERXFP1MAPT
SCHEMBL2829203 0.90 MAPT (0.52) POLBNPSR1KDM4ERXFP1MAPT
SCHEMBL2856247 0.90 MAPT (0.52) POLBNPSR1KDM4ERXFP1MAPT
SCHEMBL496819 0.89 MAPT (0.51) POLBNPSR1KDM4ERXFP1MAPT
SCHEMBL2828885 0.89 MAPT (0.51) POLBNPSR1KDM4ERXFP1MAPT
SCHEMBL2828708 0.89 MAPT (0.51) POLBNPSR1KDM4ERXFP1MAPT
SCHEMBL2851345 0.89 MAPT (0.55) POLBNPSR1RXFP1MAPTLMNA

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 4 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

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 POLB 2057/4885NPSR1 637/4885KDM4E 2349/4885
US-20090005372-A1 Triazolophthalazines PDE2A, PDE12, PDE3A POLB 2057/4885NPSR1 637/4885KDM4E 2349/4885

“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.