SCHEMBL2826599

SCHEMBL2826599

COc1ccc(-c2nnc3c4ccccc4c(Nc4ccc(NC(=O)CN5CCOCC5)cc4)nn23)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.60
KDR P35968 6/20 0.57
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
GFER P55789 1/20 0.48
ALOX15 P16050 1/20 0.48
PDE2A O00408 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PIM1 P11309 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
SCHEMBL2825098 0.91 KDR (0.56) MAPK1KDRALDH1A1MAPTGFER
SCHEMBL2827923 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTHPGDPIM1
SCHEMBL2825200 0.85 PDE2A (0.57) MAPK1ALDH1A1KDM4EMAPTHPGD
SCHEMBL2824975 0.85 MAPT (0.56) MAPK1KDRALDH1A1KDM4EMAPT
SCHEMBL2828751 0.84 HPGD (0.58) KDRALDH1A1KDM4EMAPTHPGD
SCHEMBL2825133 0.84 MAPT (0.56) KDRALDH1A1MAPTNPC1LMNA
SCHEMBL2825052 0.84 MAPT (0.56) KDRALDH1A1KDM4EMAPTHPGD
SCHEMBL2026309 0.84 PDE2A (0.66) MAPK1KDRALDH1A1MAPTPDE2A
SCHEMBL2827557 0.83 MAPT (0.55) KDRALDH1A1KDM4EMAPTHPGD
Cyclopropane SCHEMBL2824876 0.83 MAPT (0.55) MAPTNPC1LMNARAB9ASMN1; SMN2

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 MAPK1 1223/4885KDR 1654/4885ALDH1A1 717/4885
US-20090005372-A1 Triazolophthalazines PDE2A, PDE12, PDE3A MAPK1 1223/4885KDR 1654/4885ALDH1A1 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.