SCHEMBL4124836

SCHEMBL4124836

COc1ccc2c(C3CCOCC3)n[nH]c(=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 3/20 0.45
DYRK1A Q13627 3/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
PDE4B Q07343 1/20 0.41
ENPP1 P22413 1/20 0.41
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
PDE10A Q9Y233 3/20 0.38
LRRK2 Q5S007 1/20 0.37
PDE6D O43924 2/20 0.37
PDE6A P16499 2/20 0.37
PDE6G P18545 2/20 0.37
PDE6B P35913 2/20 0.37
PDE6C P51160 2/20 0.37
PDE6H Q13956 2/20 0.37
PDE5A O76074 1/20 0.37
PRKDC P78527 3/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36

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 0.91 DYRK1A (0.47) PARP14DYRK1APDE4BENPP1GSK3A
SCHEMBL4843527 0.88 DYRK1A (0.45) PARP14DYRK1APRMT5WDR77PDE4B
SCHEMBL4125315 0.77 BRD4 (0.55) GSK3B
SCHEMBL4124640 0.74 PARP14 (0.39) PARP14PDE4BPDE10ALRRK2PRKDC
SCHEMBL17682928 0.73 HTR2A (0.48) PDE4BGSK3BLRRK2KDM4EHSD17B10
SCHEMBL2308673 0.72 DYRK1A (0.59) PARP14DYRK1APDE4BENPP1GSK3A
SCHEMBL4843082 0.72 ENPP1 (0.47) DYRK1APRMT5WDR77PDE4BENPP1
SCHEMBL4124300 0.70 ENPP1 (0.66) DYRK1APDE4BENPP1GSK3AGSK3B
SCHEMBL17824559 0.70 PRMT5 (0.45) DYRK1APRMT5WDR77GSK3AGSK3B
SCHEMBL1940769 0.69 ITK (0.41) DYRK1AKDM4ELMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
WO-2007042660-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-04-19 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-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AGTR1, AGTR2, AHR PARP14 2046/4885DYRK1A 2933/4885PRMT5 11/4885

“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.