SCHEMBL3515595

SCHEMBL3515595

COc1ccc(-c2ccc3nc(C)cn3n2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.58
DYRK1A Q13627 1/20 0.57
FYN P06241 11/20 0.56
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TP53 P04637 1/20 0.54
PKM P14618 1/20 0.54
ALOX15 P16050 1/20 0.54
NFKB1 P19838 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
PIK3CA P42336 3/20 0.50

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
SCHEMBL3512128 0.91 DYRK1A (0.51) BRD4DYRK1AFYNRAB9ANPC1
SCHEMBL3512772 0.88 FYN (0.60) DYRK1AFYN
SCHEMBL3512399 0.88 DYRK1A (0.53) BRD4DYRK1AFYNRAB9ANPC1
SCHEMBL3232733 0.85 BRD4 (0.53) BRD4FYNRAB9ANPC1KDM4E
SCHEMBL3513815 0.80 DYRK1A (0.64) DYRK1ARAB9ANPC1KDM4EALDH1A1
SCHEMBL25205400 0.80 DYRK1A (0.50) BRD4DYRK1AFYNRAB9ANPC1
SCHEMBL532033 0.78 BRD4 (0.62) BRD4FYNALDH1A1MAPTPIK3CA
SCHEMBL3516776 0.78 PIK3CA (0.45) BRD4DYRK1AFYNPIK3CAPIK3CD
SCHEMBL2953640 0.78 PIK3CA (0.72) FYNALDH1A1HSD17B10ALOX15MAPK1
SCHEMBL3511931 0.77 ATM (0.43) BRD4FYNPIK3CAPIK3CDPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
EP-2155753-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP disclosed
US-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-12-24 US disclosed
EP-2079744-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis AG (CH) 2009-07-22 EP disclosed
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 WO disclosed
EP-1972631-A1 Imidazopyridazines as PI3K lipid kinase inhibitors Novartis AG (CH) 2008-09-24 EP disclosed
WO-2008052733-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-05-08 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 (2 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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB BRD4 1030/4885DYRK1A 1216/4885FYN 451/4885
US-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS PI4KA, PIK3CA, PIK3CB BRD4 815/4885DYRK1A 1128/4885FYN 492/4885

“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.