SCHEMBL2528748

SCHEMBL2528748

O=C1O/C(=C/c2ccncc2)c2cc(Br)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP19A1 P11511 4/20 0.47
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MAOB P27338 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
SCHEMBL2528750 1.00 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL2532011 0.86 KDM4E (0.67) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL2532009 0.86 KDM4E (0.67) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL7661776 0.81 KDM4E (0.73) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL7661772 0.81 KDM4E (0.73) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL30132771 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL6586281 0.75 ACHE (0.54) ALDH1A1KDM4EHPGDTDP1CYP19A1
SCHEMBL6586280 0.75 ACHE (0.54) ALDH1A1KDM4EHPGDTDP1CYP19A1
SCHEMBL23914803 0.74 S100A4 (0.44) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL4572933 0.74 KDM4E (0.73) ALDH1A1KDM4EHPGDTDP1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558459-B1 PHTHALAZIN-(2H)-ONE INHIBITORS OF KINASES ABBVIE INC (US) 2014-01-22 EP disclosed
US-8383623-B2 Phthalazin-(2H)-one inhibitors of kinases ABBOTT LABORATORIES (US) 2013-02-26 US disclosed
US-20110257187-A1 PHTHALAZIN-(2H)-ONE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-10-20 US 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-20110257187-A1 PHTHALAZIN-(2H)-ONE INHIBITORS OF KINASES CDC7, CDK17, CDK1 ALDH1A1 3626/4885KDM4E 1246/4885HPGD 3750/4885

“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.