SCHEMBL2823796

SCHEMBL2823796

COc1ccc(-c2nnc3c4ccccc4c(Nc4cccc(NC(=O)c5cccnc5)c4)nn23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 2/20 0.53
MAPT P10636 5/20 0.51
POLB P06746 2/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KCNK3 O14649 1/20 0.48
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
TP53 P04637 1/20 0.46
KCNK9 Q9NPC2 1/20 0.45
BRAF P15056 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL2827930 0.93 ALDH1A1 (0.53) SMN1; SMN2TSHRMAPTPOLBABCG2
SCHEMBL2828627 0.93 MAPT (0.50) SMN1; SMN2TSHRMAPTPOLBABCG2
SCHEMBL2827889 0.92 MAPT (0.61) SMN1; SMN2MAPTPOLBRAB9ANPC1
SCHEMBL2823650 0.91 MAPT (0.54) SMN1; SMN2MAPTPOLBRAB9ANPC1
SCHEMBL2828630 0.91 MAPT (0.57) SMN1; SMN2MAPTPOLBRAB9ANPC1
SCHEMBL2851345 0.90 MAPT (0.55) SMN1; SMN2TSHRMAPTPOLBRAB9A
SCHEMBL2825894 0.88 MAPT (0.51) SMN1; SMN2MAPTPOLBABCG2RAB9A
SCHEMBL2831680 0.88 MAPT (0.55) SMN1; SMN2TSHRMAPTPOLBRAB9A
SCHEMBL2832052 0.88 MAPT (0.56) SMN1; SMN2MAPTPOLBRAB9ANPC1
SCHEMBL2825452 0.88 MAPT (0.54) SMN1; SMN2MAPTPOLBRAB9ANPC1

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 SMN1; SMN2 2985/4885TSHR 1435/4885MAPT 3816/4885
US-20090005372-A1 Triazolophthalazines PDE2A, PDE12, PDE3A SMN1; SMN2 2985/4885TSHR 1435/4885MAPT 3816/4885

“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.