SCHEMBL4840544

SCHEMBL4840544

Oc1ccc2c(-c3ccccc3)nnc(NC3CCN(Cc4ccc5ccccc5c4)CC3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 1/20 0.54
MCHR1 Q99705 9/20 0.50
KCNH2 Q12809 2/20 0.49
SIGMAR1 Q99720 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
NTSR1 P30989 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ACHE P22303 3/20 0.46
KDM1A O60341 1/20 0.44
EHMT2 Q96KQ7 1/20 0.44
RCOR1 Q9UKL0 1/20 0.44
GBA1 P04062 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5197392 0.91 DNMT3A (0.55) DNMT3AMCHR1KCNH2SIGMAR1LMNA
Hydrochloric Acid SCHEMBL4842298 0.90 DNMT3A (0.54) DNMT3AMCHR1KCNH2SIGMAR1LMNA
SCHEMBL4838974 0.87 DNMT3A (0.54) DNMT3AMCHR1KCNH2ACHEKDM1A
SCHEMBL5194216 0.86 DNMT3A (0.53) DNMT3AMCHR1KCNH2ACHEKDM1A
SCHEMBL4843357 0.85 MCHR1 (0.52) DNMT3AMCHR1KCNH2LMNAMAPT
Hydrochloric Acid SCHEMBL4833934 0.85 DNMT3A (0.52) DNMT3AMCHR1KCNH2ACHEKDM1A
SCHEMBL4118769 0.84 ACHE (0.52) DNMT3AMCHR1KCNH2ACHEKDM1A
SCHEMBL4837358 0.83 DNMT3A (0.51) DNMT3AMCHR1KCNH2ACHEKDM1A
SCHEMBL4837345 0.82 MCHR1 (0.53) DNMT3AMCHR1KCNH2LMNAKMT2A
SCHEMBL4837275 0.81 ACHE (0.54) DNMT3AMCHR1KCNH2ACHEKDM1A

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 DNMT3A 4219/4885MCHR1 1335/4885KCNH2 2696/4885

“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.