SCHEMBL4841775

SCHEMBL4841775

COc1ccc2c(-c3ccc(-c4ccccc4)cc3)n[nH]c(=O)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.62
GSK3B P49841 2/20 0.62
ENPP1 P22413 1/20 0.61
ATM Q13315 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
ROCK1 Q13464 8/20 0.55
DYRK1A Q13627 1/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 1/20 0.55
MAPK1 P28482 1/20 0.51
CASR P41180 1/20 0.50
PIK3CA P42336 1/20 0.48
BCHE P06276 1/20 0.48
CCNE2 O96020 1/20 0.47
CDK4 P11802 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
SCHEMBL4843618 0.97 GSK3A (0.65) GSK3AGSK3BENPP1ATMNPSR1
SCHEMBL6591973 0.92 GSK3A (0.65) GSK3AGSK3BENPP1ATMNPSR1
SCHEMBL4124300 0.91 ENPP1 (0.66) GSK3AGSK3BENPP1ATMNPSR1
SCHEMBL4838570 0.87 ENPP1 (0.56) GSK3AGSK3BENPP1ATMNPSR1
SCHEMBL4844032 0.87 ENPP1 (0.62) GSK3AGSK3BENPP1ATMNPSR1
SCHEMBL4833909 0.86 ENPP1 (0.61) GSK3AGSK3BENPP1ATMNPSR1
SCHEMBL4841875 0.86 ENPP1 (0.61) GSK3AGSK3BENPP1NPSR1PDE4A
SCHEMBL15897891 0.86 ENPP1 (0.64) GSK3AGSK3BENPP1ATMNPSR1
SCHEMBL4840184 0.86 ENPP1 (0.61) GSK3AGSK3BENPP1PDE4APDE4B
SCHEMBL4834510 0.84 ENPP1 (0.58) GSK3AGSK3BENPP1ATMNPSR1

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

“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.