SCHEMBL4843527

SCHEMBL4843527

COc1ccc2c(C3CCCC3)n[nH]c(=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.45
PDE4B Q07343 1/20 0.43
MPI P34949 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
ENPP1 P22413 1/20 0.43
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
PARP15 Q460N3 4/20 0.40
PARP10 Q53GL7 4/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TYMS P04818 1/20 0.38
PIK3CA P42336 1/20 0.38
PARP14 Q460N5 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37

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
SCHEMBL4834839 0.94 DYRK1A (0.47) DYRK1APDE4BMPIENPP1GSK3A
SCHEMBL4124836 0.88 PARP14 (0.45) DYRK1APDE4BPRMT5WDR77ENPP1
SCHEMBL1940769 0.81 ITK (0.41) DYRK1AMPIPTGDR2KDM4ELMNA
SCHEMBL4125315 0.80 BRD4 (0.55) GSK3B
SCHEMBL17824774 0.79 PRMT5 (0.46) DYRK1APRMT5WDR77GSK3AGSK3B
SCHEMBL1786994 0.76 PRMT5 (0.48) PRMT5WDR77KDM4ELMNAHSD17B10
SCHEMBL17682928 0.76 HTR2A (0.48) PDE4BGSK3BKDM4EHSD17B10
SCHEMBL1790181 0.75 PRMT5 (0.47) PRMT5WDR77KDM4ELMNAPARP2
SCHEMBL2308673 0.75 DYRK1A (0.59) DYRK1APDE4BENPP1GSK3AGSK3B
SCHEMBL4843082 0.75 ENPP1 (0.47) DYRK1APDE4BPRMT5WDR77ENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423030-B2 1-amino-phthalazine derivatives, the preparation and the therapeutic use thereof SANOFI-AVENTIS (FR) 2008-09-09 US disclosed
EP-1737840-B1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-09-12 EP disclosed
US-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-03 US disclosed
EP-1737840-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-01-03 EP disclosed
WO-2005103033-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2005-11-03 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-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF CYP11B2, CYP11B1, GOT2 DYRK1A 4800/4885PDE4B 1845/4885MPI 1803/4885

“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.