SCHEMBL4838692

SCHEMBL4838692

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 4/20 0.49
EHMT2 Q96KQ7 4/20 0.49
KDM1A O60341 1/20 0.49
RCOR1 Q9UKL0 1/20 0.49
SSTR5 P35346 1/20 0.49
MCHR1 Q99705 7/20 0.49
CCR3 P51677 3/20 0.47
KCNH2 Q12809 1/20 0.47
ACHE P22303 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
SCHEMBL4118769 0.95 ACHE (0.52) DNMT3AEHMT2KDM1ARCOR1MCHR1
SCHEMBL5194216 0.93 DNMT3A (0.53) DNMT3AEHMT2KDM1ARCOR1MCHR1
SCHEMBL4838974 0.93 DNMT3A (0.54) DNMT3AEHMT2KDM1ARCOR1MCHR1
SCHEMBL4837275 0.92 ACHE (0.54) DNMT3AEHMT2KDM1ARCOR1MCHR1
Hydrochloric Acid SCHEMBL4833934 0.92 DNMT3A (0.52) DNMT3AEHMT2KDM1ARCOR1MCHR1
SCHEMBL4843894 0.92 MCHR1 (0.55) DNMT3AEHMT2KDM1ARCOR1MCHR1
SCHEMBL5193821 0.92 DNMT3A (0.51) DNMT3AEHMT2KDM1ARCOR1MCHR1
SCHEMBL4837358 0.92 DNMT3A (0.51) DNMT3AEHMT2KDM1ARCOR1MCHR1
SCHEMBL4843357 0.91 MCHR1 (0.52) DNMT3AMCHR1CCR3KCNH2
SCHEMBL4833949 0.91 ACHE (0.56) DNMT3AEHMT2KDM1ARCOR1MCHR1

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 8 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
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 DNMT3A 4219/4885EHMT2 1339/4885KDM1A 2445/4885

“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.