SCHEMBL3513076

SCHEMBL3513076

COc1ccc(-c2ccc(-c3ccc4nc(C)c(-c5ccc(N6CCOCC6)nc5)n4n3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.44
KDM4E B2RXH2 4/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
DYRK1A Q13627 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMPD3 Q9NY59 1/20 0.41
ERN1 O75460 1/20 0.41
ABCB1 P08183 1/20 0.41
PDE10A Q9Y233 2/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41

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
SCHEMBL3512136 0.87 PIK3CD (0.57) KDM4ETSHRPIK3CDPIK3CAPIK3CB
SCHEMBL3513237 0.83 PIK3CD (0.51) TSHRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14013987 0.83 PIK3CA (0.47) TSHRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4055400 0.80 KDM4E (0.56) KDM4EPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3513209 0.76 PIK3CD (0.57) TSHRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4062318 0.73 SMPD3 (0.60) KDM4ETSHRPIK3CDPIK3CAPIK3CB
SCHEMBL1820733 0.72 SMPD3 (0.66) SMPD3PDE10APDE2APDE8APDE5A
SCHEMBL4055601 0.71 JAK2 (0.47) KDM4EALDH1A1HPGDDYRK1AMEN1
SCHEMBL24921472 0.71 KDM4E (0.61) KDM4EGAAALDH1A1HPGDMEN1
SCHEMBL3513947 0.70 SMPD3 (0.62) PIK3CDPIK3CAPIK3CBPIK3CGSMPD3

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 6 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 claimed
EP-2155753-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP claimed
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 WO claimed
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
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB NOS1 4236/4885KDM4E 898/4885GAA 1077/4885

“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.