SCHEMBL4055601

SCHEMBL4055601

COc1ccc(-c2ccc(-c3ccc4nc(C)c(-c5ccc(S(C)(=O)=O)cc5)n4n3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
PTK2 Q05397 1/20 0.47
PTGS2 P35354 7/20 0.46
PTGS1 P23219 6/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
MAPT P10636 1/20 0.45
AURKA O14965 1/20 0.45
TNF P01375 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 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
SCHEMBL4060345 0.91 KCNH2 (0.50) JAK2JAK3PTK2PTGS2KDM4E
SCHEMBL4055400 0.89 KDM4E (0.56) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL4055384 0.88 RAB9A (0.46) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL4056586 0.84 PIK3CA (0.57) PTGS2ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL4054695 0.83 KCNH2 (0.44) JAK2JAK3PTK2PTGS2KDM4E
SCHEMBL4052345 0.79 PIK3CA (0.52) PTGS2ALDH1A1HPGDMAPTTNF
SCHEMBL4057904 0.77 PIK3CA (0.52) PTGS2ALDH1A1SMN1; SMN2MAPTTNF
SCHEMBL3514707 0.77 KCNH2 (0.49) JAK2JAK3PTK2KDM4ENPC1
SCHEMBL4054844 0.77 PIK3CA (0.51) PTGS2ALDH1A1SMN1; SMN2MAPTTNF
SCHEMBL3515490 0.76 JAK2 (0.42) JAK2JAK3PTK2TNFKMT2A

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 8 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-2079744-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis AG (CH) 2009-07-22 EP claimed
EP-1972631-A1 Imidazopyridazines as PI3K lipid kinase inhibitors Novartis AG (CH) 2008-09-24 EP claimed
WO-2008052733-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-05-08 WO 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 JAK2 88/4885JAK3 220/4885PTK2 173/4885

“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.