SCHEMBL4055400

SCHEMBL4055400

COc1ccc(-c2ccc(-c3ccc4nc(C)c(-c5ccc(-c6ccc(OC)cc6)cc5)n4n3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
HPGD P15428 5/20 0.56
ALDH1A1 P00352 5/20 0.56
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
PKM P14618 1/20 0.56
CDK5 Q00535 1/20 0.56
CDK5R1 Q15078 1/20 0.56
MAPT P10636 2/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ATM Q13315 1/20 0.53
CLK2 P49760 1/20 0.49
DYRK1A Q13627 1/20 0.49
HASPIN Q8TF76 1/20 0.49
ALDH1A3 P47895 2/20 0.48
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 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
SCHEMBL4055601 0.89 JAK2 (0.47) KDM4EHPGDALDH1A1RAB9ANPC1
SCHEMBL4055384 0.86 RAB9A (0.46) KDM4EHPGDALDH1A1RAB9ANPC1
SCHEMBL3514977 0.84 KDM4E (0.54) KDM4EHPGDALDH1A1RAB9ANPC1
SCHEMBL3513076 0.80 NOS1 (0.44) KDM4EHPGDALDH1A1RAB9ANPC1
SCHEMBL13595838 0.78 PIK3CA (0.67) KDM4EHPGDALDH1A1RAB9ANPC1
SCHEMBL4060345 0.76 KCNH2 (0.50) KDM4EALDH1A1RAB9ANPC1MEN1
SCHEMBL4053277 0.76 PIK3CA (0.67) KDM4EHPGDALDH1A1RAB9ANPC1
SCHEMBL4054305 0.76 PIK3CA (0.61) KDM4EHPGDALDH1A1RAB9ANPC1
SCHEMBL4055809 0.76 PIK3CA (0.61) KDM4EHPGDALDH1A1RAB9ANPC1
SCHEMBL4054058 0.76 PIK3CA (0.61) MEN1KMT2APIK3CDPIK3CAPIK3CB

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-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-12-24 US claimed
EP-1972631-A1 Imidazopyridazines as PI3K lipid kinase inhibitors Novartis AG (CH) 2008-09-24 EP claimed
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
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 (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-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS PI4KA, PIK3CA, PIK3CB KDM4E 866/4885HPGD 2410/4885ALDH1A1 948/4885

“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.