SCHEMBL2827930

SCHEMBL2827930

COc1ccc(-c2nnc3c4ccccc4c(Nc4cccc(C(=O)Nc5cccnc5)c4)nn23)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
RAB9A P51151 3/20 0.51
MAPT P10636 5/20 0.49
POLB P06746 2/20 0.49
KMT2A Q03164 1/20 0.49
PKM P14618 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
BRAF P15056 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
TSHR P16473 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
TP53 P04637 1/20 0.46
CSF1R P07333 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
SCHEMBL2823796 0.93 SMN1; SMN2 (0.53) ALDH1A1RAB9AMAPTPOLBKMT2A
SCHEMBL2825894 0.92 MAPT (0.51) RAB9AMAPTPOLBKMT2APKM
SCHEMBL2825452 0.92 MAPT (0.54) RAB9AMAPTPOLBKMT2APKM
SCHEMBL2832052 0.92 MAPT (0.56) RAB9AMAPTPOLBKMT2APKM
SCHEMBL2831680 0.90 MAPT (0.55) ALDH1A1RAB9AMAPTPOLBKMT2A
SCHEMBL2828627 0.89 MAPT (0.50) RAB9AMAPTPOLBKMT2ASMN1; SMN2
SCHEMBL2851345 0.88 MAPT (0.55) ALDH1A1RAB9AMAPTPOLBKMT2A
SCHEMBL2827889 0.88 MAPT (0.61) RAB9AMAPTPOLBKMT2ASMN1; SMN2
SCHEMBL2823650 0.87 MAPT (0.54) RAB9AMAPTPOLBKMT2ASMN1; SMN2
SCHEMBL2831941 0.87 MAPT (0.53) RAB9AMAPTPOLBSMN1; SMN2NPC1

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 ALDH1A1 717/4885RAB9A 3017/4885MAPT 3816/4885
US-20090005372-A1 Triazolophthalazines PDE2A, PDE12, PDE3A ALDH1A1 717/4885RAB9A 3017/4885MAPT 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.