SCHEMBL4060345

SCHEMBL4060345

Cc1nc2ccc(-c3ccc(S(C)(=O)=O)cc3)nn2c1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.50
TNF P01375 3/20 0.46
FYN P06241 2/20 0.46
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
CLK2 P49760 1/20 0.43
DYRK1A Q13627 1/20 0.43
HASPIN Q8TF76 1/20 0.43
MET P08581 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PTGS2 P35354 2/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
PTK2 Q05397 1/20 0.41
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL4054695 0.92 KCNH2 (0.44) KCNH2TNFFYNALDH1A1KMT2A
SCHEMBL4055601 0.91 JAK2 (0.47) KCNH2TNFALDH1A1KMT2ACLK2
SCHEMBL4056586 0.86 PIK3CA (0.57) KCNH2FYNALDH1A1KMT2APTGS2
SCHEMBL3514707 0.85 KCNH2 (0.49) KCNH2TNFFYNALDH1A1KMT2A
SCHEMBL3514594 0.82 KCNH2 (0.46) KCNH2TNFFYNCLK2DYRK1A
SCHEMBL4052345 0.81 PIK3CA (0.52) KCNH2TNFFYNALDH1A1KMT2A
SCHEMBL4057904 0.79 PIK3CA (0.52) KCNH2TNFFYNALDH1A1KMT2A
SCHEMBL4054844 0.78 PIK3CA (0.51) KCNH2TNFFYNALDH1A1KMT2A
SCHEMBL4055384 0.78 RAB9A (0.46) TNFALDH1A1KMT2ACLK2DYRK1A
SCHEMBL3515490 0.78 JAK2 (0.42) KCNH2TNFFYNKMT2AJAK2

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 KCNH2 1532/4885TNF 4265/4885FYN 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.