SCHEMBL496743

SCHEMBL496743

COc1ccc(Cc2nnc3c4ccccc4c(Nc4cccc(-c5nn[nH]n5)c4)nn23)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.48
PFKFB4 Q16877 1/20 0.45
PFKFB3 Q16875 1/20 0.44
CSNK2A1 P68400 1/20 0.42
ACP1 P24666 1/20 0.41
PTGDR Q13258 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
MET P08581 1/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
FLT1 P17948 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL496572 0.86 MAPT (0.52) PFKFB4PFKFB3CSNK2A1
SCHEMBL496631 0.86 KDR (0.46) KDRMETPDGFRBKITFLT1
SCHEMBL497262 0.83 KDR (0.53) KDRMETPDGFRBKITFLT1
SCHEMBL496935 0.80 KDR (0.52) KDRACP1PDGFRBKITFLT1
SCHEMBL496555 0.79 KDR (0.48) KDRMETPDGFRBKITFLT1
SCHEMBL496594 0.77 KDR (0.46) KDRPDGFRBKITFLT1ALDH1A1
SCHEMBL496898 0.77 MAPT (0.55)
SCHEMBL496493 0.74 MAPT (0.43) MET
SCHEMBL1249303 0.73 PFKFB4 (0.61) PFKFB4PFKFB3PTGDRPTGDR2ALDH1A1
SCHEMBL2028971 0.72 PDE2A (0.56) KDRALDH1A1CYP2C9CYP2C19

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836207-B1 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS NYCOMED GMBH (DE) 2012-10-10 EP claimed
US-20080312225-A1 Triazolophthalazines NYCOMED GMBH (DE) 2008-12-18 US claimed
EP-1836207-A2 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS Nycomed GmbH (DE) 2007-09-26 EP claimed
WO-2006072615-A2 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS NYCOMED GMBH (DE) 2006-07-13 WO claimed
EP-1836207-B1 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS NYCOMED GMBH (DE) 2012-10-10 EP disclosed
US-8106047-B2 (4-Methoxyphenyl)-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-amine; phosphodiesterase inhibitors; septic shock or vascular edema; neoangiogenesis or inflammatory disease NYCOMED GMBH (DE) 2012-01-31 US disclosed
US-20080312225-A1 Triazolophthalazines NYCOMED GMBH (DE) 2008-12-18 US disclosed
EP-1836207-A2 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS Nycomed GmbH (DE) 2007-09-26 EP disclosed
WO-2006072615-A2 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS NYCOMED GMBH (DE) 2006-07-13 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 (1 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-20080312225-A1 Triazolophthalazines PDE2A, PDE3A, PDE12 KDR 1477/4885PFKFB4 1969/4885PFKFB3 1799/4885

“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.