SCHEMBL2028971

SCHEMBL2028971

COc1ccc(Cc2nnc3c4ccccc4c(Nc4ccc(N5CCOCC5)cc4)nn23)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.56
RAB9A P51151 1/20 0.48
KDR P35968 7/20 0.48
MERTK Q12866 1/20 0.45
MAPT P10636 5/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
YES1 P07947 1/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.41
SRC P12931 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
SCHEMBL2026309 0.84 PDE2A (0.66) PDE2ARAB9AKDRMERTKMAPT
SCHEMBL496486 0.80 KDR (0.49) RAB9AKDRMAPTSMN1; SMN2MEN1
SCHEMBL497262 0.79 KDR (0.53) KDR
SCHEMBL2825200 0.77 PDE2A (0.57) PDE2ARAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL2026001 0.76 MAPT (0.55) PDE2ARAB9AMAPTNPSR1SMN1; SMN2
SCHEMBL2028333 0.76 PDE2A (0.76) PDE2AKDRMAPTNPSR1SMN1; SMN2
SCHEMBL496935 0.76 KDR (0.52) KDRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2026019 0.75 PDE2A (0.66) PDE2AMAPTNPSR1SMN1; SMN2MEN1
SCHEMBL496555 0.75 KDR (0.48) KDRMAPTSMN1; SMN2
SCHEMBL2026204 0.75 PDE2A (0.74) PDE2ARAB9AMAPTNPSR1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874775-B1 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS NYCOMED GMBH (DE) 2012-10-10 EP claimed
US-20110136803-A1 Triazolophthalazines NYCOMED GMBH (DE) 2011-06-09 US claimed
US-7671050-B2 Triazolophthalazines NYCOMED GMBH (DE) 2010-03-02 US claimed
US-20080280907-A1 Triazolophthalazines AALTANA PHARMA AG (DE) 2008-11-13 US claimed
EP-1874775-A2 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS Nycomed GmbH (DE) 2008-01-09 EP claimed
WO-2006072612-A2 TRIAZOLOPHTHALAZINES AS PDE2- INHIBITORS NYCOMED GMBH (DE) 2006-07-13 WO claimed
EP-1874775-B1 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS NYCOMED GMBH (DE) 2012-10-10 EP 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-20080280907-A1 Triazolophthalazines PDE2A, PDE3A, PDE12 PDE2A 1/4885RAB9A 2855/4885KDR 1477/4885
US-20110136803-A1 Triazolophthalazines PDE2A, PDE3A, PDE12 PDE2A 1/4885RAB9A 2855/4885KDR 1477/4885

“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.