SCHEMBL4833949

SCHEMBL4833949

COc1ccc2c(-c3ccc(C(F)(F)F)cc3)nnc(NC3CCN(Cc4ccc5ccccc5c4)CC3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.56
KDM1A O60341 1/20 0.48
EHMT2 Q96KQ7 1/20 0.48
RCOR1 Q9UKL0 1/20 0.48
DNMT3A Q9Y6K1 3/20 0.47
MCHR1 Q99705 8/20 0.47
KCNH2 Q12809 2/20 0.46
DRD4 P21917 2/20 0.46
BCHE P06276 1/20 0.44
BACE1 P56817 1/20 0.44

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
SCHEMBL4118769 0.93 ACHE (0.52) ACHEKDM1AEHMT2RCOR1DNMT3A
SCHEMBL4838692 0.91 DNMT3A (0.49) ACHEKDM1AEHMT2RCOR1DNMT3A
SCHEMBL5194216 0.91 DNMT3A (0.53) ACHEKDM1AEHMT2RCOR1DNMT3A
SCHEMBL4838974 0.91 DNMT3A (0.54) ACHEKDM1AEHMT2RCOR1DNMT3A
Hydrochloric Acid SCHEMBL4833934 0.90 DNMT3A (0.52) ACHEKDM1AEHMT2RCOR1DNMT3A
SCHEMBL4837275 0.90 ACHE (0.54) ACHEKDM1AEHMT2RCOR1DNMT3A
SCHEMBL4843894 0.90 MCHR1 (0.55) ACHEKDM1AEHMT2RCOR1DNMT3A
SCHEMBL5193821 0.90 DNMT3A (0.51) ACHEKDM1AEHMT2RCOR1DNMT3A
SCHEMBL4837358 0.90 DNMT3A (0.51) ACHEKDM1AEHMT2RCOR1DNMT3A
Hydrochloric Acid SCHEMBL4834576 0.89 EHMT2 (0.51) ACHEKDM1AEHMT2RCOR1DNMT3A

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 10 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 claimed
EP-1737840-B1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-09-12 EP claimed
US-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-03 US claimed
EP-1737840-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-01-03 EP claimed
WO-2005103033-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2005-11-03 WO claimed
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 ACHE 1785/4885KDM1A 2445/4885EHMT2 1339/4885

“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.