SCHEMBL2824855

SCHEMBL2824855

COc1ccccc1-c1nnc2c3ccccc3c(Nc3cccc(C(N)=O)c3)nn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 4/20 0.44
POLB P06746 2/20 0.43
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
HPGD P15428 1/20 0.43
TGFBR1 P36897 1/20 0.43
TP53 P04637 1/20 0.42
PIK3CA P42336 1/20 0.42
KDR P35968 1/20 0.42
SYK P43405 2/20 0.42
THRB P10828 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
PDE2A O00408 1/20 0.41

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
SCHEMBL2829169 0.90 KDR (0.49) ALDH1A1MEN1KMT2ARXFP1POLB
SCHEMBL2826130 0.89 MAPT (0.46) MAPTRXFP1POLBTGFBR1TP53
SCHEMBL496760 0.86 RXFP1 (0.46) MAPTALDH1A1RXFP1HPGDTP53
SCHEMBL2831892 0.86 MAPT (0.43) MAPTALDH1A1MEN1KMT2ARXFP1
SCHEMBL2828318 0.85 MAPT (0.53) MAPTMEN1KMT2ARXFP1POLB
SCHEMBL2824766 0.83 POLB (0.41) MAPTMEN1KMT2ARXFP1POLB
SCHEMBL496538 0.81 ABCG2 (0.58) MAPTALDH1A1MEN1KMT2ARXFP1
SCHEMBL496930 0.81 PDE2A (0.51) MAPTALDH1A1RXFP1HPGDTP53
SCHEMBL2823225 0.80 KDR (0.51) MAPTRXFP1POLBTGFBR1KDR
SCHEMBL2829510 0.78 MAPT (0.49) MAPTALDH1A1MEN1KMT2ARXFP1

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 MAPT 3816/4885ALDH1A1 717/4885MEN1 2920/4885
US-20090005372-A1 Triazolophthalazines PDE2A, PDE12, PDE3A MAPT 3816/4885ALDH1A1 717/4885MEN1 2920/4885

“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.