SCHEMBL4840184

SCHEMBL4840184

COc1ccc2c(-c3ccc(F)cc3)n[nH]c(=O)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.61
GSK3A P49840 2/20 0.55
GSK3B P49841 2/20 0.55
DYRK1A Q13627 1/20 0.55
PIK3CA P42336 1/20 0.51
ROCK1 Q13464 7/20 0.50
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
MAOB P27338 1/20 0.48
ITK Q08881 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.45
MAP2K4 P45985 1/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
RAB9A P51151 1/20 0.45
MAPK14 Q16539 1/20 0.45

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
SCHEMBL4124300 0.91 ENPP1 (0.66) ENPP1GSK3AGSK3BDYRK1APIK3CA
SCHEMBL4844032 0.87 ENPP1 (0.62) ENPP1GSK3AGSK3BDYRK1APIK3CA
SCHEMBL4841775 0.86 GSK3A (0.62) ENPP1GSK3AGSK3BDYRK1APIK3CA
SCHEMBL15897891 0.86 ENPP1 (0.64) ENPP1GSK3AGSK3BDYRK1APIK3CA
SCHEMBL4833909 0.86 ENPP1 (0.61) ENPP1GSK3AGSK3BDYRK1APIK3CA
SCHEMBL4841875 0.86 ENPP1 (0.61) ENPP1GSK3AGSK3BDYRK1APIK3CA
SCHEMBL4843618 0.86 GSK3A (0.65) ENPP1GSK3AGSK3BDYRK1APIK3CA
SCHEMBL16049271 0.85 KDM4E (0.53) ENPP1GSK3AGSK3BDYRK1AROCK1
SCHEMBL4838710 0.85 PIK3CA (0.69) ENPP1GSK3AGSK3BDYRK1APIK3CA
SCHEMBL4834510 0.84 ENPP1 (0.58) ENPP1GSK3AGSK3BDYRK1APIK3CA

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 ENPP1 661/4885GSK3A 4079/4885GSK3B 4018/4885

“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.