SCHEMBL2828672

SCHEMBL2828672

COc1ccc(-c2nnc3c4ccccc4c(Nc4cccc(C(=O)NCCN5CCOCC5)c4)nn23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PIM1 P11309 1/20 0.51
EPHX2 P34913 1/20 0.49
DRD4 P21917 3/20 0.49
SYK P43405 3/20 0.49
GSK3A P49840 3/20 0.49
SRC P12931 2/20 0.49
MAPK14 Q16539 2/20 0.49
KDM5B Q9UGL1 2/20 0.48
MAPK1 P28482 1/20 0.48
GAA P10253 1/20 0.48
BCL3 P20749 1/20 0.48
HPGDS O60760 1/20 0.47
MMP2 P08253 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
Hydrochloric Acid SCHEMBL2825723 0.99 CYP2C9 (0.54) CYP2C9CYP2C19ALDH1A1KDM4EPOLB
SCHEMBL2827923 0.92 ALDH1A1 (0.54) CYP2C9CYP2C19ALDH1A1KDM4EPOLB
SCHEMBL2825228 0.87 MAPT (0.49) CYP2C9POLBGAA
SCHEMBL2825953 0.87 GABRA1 (0.49) CYP2C9ALDH1A1KDM4EPOLBHPGD
SCHEMBL2825195 0.86 RAB9A (0.53) ALDH1A1HPGDMAPK1
SCHEMBL2832049 0.85 GABRA1 (0.47) POLB
Hydrochloric Acid SCHEMBL2825801 0.84 RAD52 (0.47) POLB
SCHEMBL2831941 0.82 MAPT (0.53) KDM4EPOLB
SCHEMBL2825575 0.82 MAPT (0.57) ALDH1A1KDM4EPOLBHSD17B10MAPK1
SCHEMBL2832052 0.82 MAPT (0.56) KDM4EPOLB

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 CYP2C9 779/4885CYP2C19 309/4885ALDH1A1 717/4885
US-20090005372-A1 Triazolophthalazines PDE2A, PDE12, PDE3A CYP2C9 779/4885CYP2C19 309/4885ALDH1A1 717/4885

“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.