SCHEMBL2030596

SCHEMBL2030596

COC(=O)c1ccc(-c2nnc3c4ccccc4c(Cl)nn23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 7/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GABRA1 P14867 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
GABRA2 P47869 1/20 0.51
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
THRB P10828 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL2029084 0.87 MAPT (0.56) RXFP1L3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL496814 0.82 MAPT (0.76) RXFP1L3MBTL1MAPTSMN1; SMN2NPC1
Dimethylamine SCHEMBL496581 0.80 SMN1; SMN2 (0.66) RXFP1L3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL497285 0.80 NPC1 (0.69) RXFP1L3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL787717 0.74 KDR (0.66) L3MBTL1SMN1; SMN2TSHRALDH1A1HPGD
SCHEMBL2029644 0.73 PDE2A (0.63) RXFP1MAPTLMNANPSR1TP53
SCHEMBL22028103 0.72 RXFP1 (0.39) RXFP1L3MBTL1SMN1; SMN2GABRA1GABRG2
SCHEMBL2031649 0.72 RXFP1 (0.55) RXFP1L3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL496968 0.72 RXFP1 (0.58) RXFP1L3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL2825575 0.71 MAPT (0.57) RXFP1MAPTSMN1; SMN2NPC1RAB9A

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
EP-1874775-B1 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS NYCOMED GMBH (DE) 2012-10-10 EP disclosed
US-20110136803-A1 Triazolophthalazines NYCOMED GMBH (DE) 2011-06-09 US disclosed
US-7671050-B2 Triazolophthalazines NYCOMED GMBH (DE) 2010-03-02 US disclosed
US-20080280907-A1 Triazolophthalazines AALTANA PHARMA AG (DE) 2008-11-13 US disclosed
EP-1874775-A2 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS Nycomed GmbH (DE) 2008-01-09 EP disclosed
WO-2006072612-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 (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 RXFP1 292/4885L3MBTL1 4111/4885MAPT 3537/4885
US-20110136803-A1 Triazolophthalazines PDE2A, PDE3A, PDE12 RXFP1 292/4885L3MBTL1 4111/4885MAPT 3537/4885

“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.