SCHEMBL4839229

SCHEMBL4839229

COc1ccc2c(-c3cccnc3)n[nH]c(=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ENPP1 P22413 1/20 0.52
CYP17A1 P05093 4/20 0.50
CYP11B2 P19099 4/20 0.50
CYP11B1 P15538 3/20 0.50
GSK3A P49840 2/20 0.50
GSK3B P49841 2/20 0.50
CYP19A1 P11511 1/20 0.50
CYP3A4 P08684 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAP2K4 P45985 1/20 0.48
PIM1 P11309 1/20 0.48
DYRK1A Q13627 2/20 0.47
CLK1 P49759 1/20 0.47
CLK2 P49760 1/20 0.47
CLK4 Q9HAZ1 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 0.85 GSK3A (0.65) KDM4EALDH1A1HPGDENPP1GSK3A
SCHEMBL4838570 0.84 ENPP1 (0.56) KDM4EALDH1A1HPGDHSD17B10ENPP1
SCHEMBL4841775 0.83 GSK3A (0.62) KDM4EALDH1A1HPGDENPP1GSK3A
SCHEMBL4124300 0.82 ENPP1 (0.66) KDM4EALDH1A1ENPP1GSK3AGSK3B
SCHEMBL4834510 0.81 ENPP1 (0.58) KDM4EALDH1A1ENPP1GSK3AGSK3B
SCHEMBL16311090 0.81 ENPP1 (0.53) KDM4EALDH1A1HPGDENPP1GSK3A
SCHEMBL6591973 0.80 GSK3A (0.65) KDM4EALDH1A1HPGDENPP1GSK3A
SCHEMBL16110154 0.80 ENPP1 (0.52) KDM4EALDH1A1ENPP1GSK3AGSK3B
SCHEMBL16049271 0.80 KDM4E (0.53) KDM4EALDH1A1HPGDENPP1GSK3A
SCHEMBL7298569 0.79 ATM (0.69) KDM4EALDH1A1HPGDHSD17B10MAP2K4

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 KDM4E 3362/4885ALDH1A1 86/4885HPGD 163/4885

“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.