SCHEMBL3515490

SCHEMBL3515490

Cc1nc2ccc(-c3ccc(OCCCN4CCCC4=O)cc3)nn2c1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.42
JAK3 P52333 2/20 0.42
PTK2 Q05397 2/20 0.42
HRH3 Q9Y5N1 8/20 0.40
TNF P01375 2/20 0.39
KCNH2 Q12809 3/20 0.38
KMT2A Q03164 1/20 0.37
RCE1 Q9Y256 1/20 0.37
PDK2 Q15119 1/20 0.36
BRD4 O60885 1/20 0.36
FYN P06241 1/20 0.35

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
SCHEMBL3514862 0.93 HRH3 (0.40) JAK2JAK3PTK2HRH3KCNH2
SCHEMBL3514756 0.80 PIK3CA (0.57) HRH3TNFKCNH2PDK2
SCHEMBL4060345 0.78 KCNH2 (0.50) JAK2JAK3PTK2TNFKCNH2
SCHEMBL4055601 0.76 JAK2 (0.47) JAK2JAK3PTK2TNFKCNH2
SCHEMBL13589470 0.74 POLB (0.52) HRH3KCNH2KMT2APDK2BRD4
SCHEMBL3514500 0.73 HRH3 (0.46) JAK2HRH3KCNH2RCE1PDK2
SCHEMBL4054695 0.71 KCNH2 (0.44) JAK2JAK3PTK2TNFKCNH2
SCHEMBL4054844 0.69 PIK3CA (0.51) TNFKCNH2KMT2ABRD4FYN
SCHEMBL4056586 0.69 PIK3CA (0.57) KCNH2KMT2ABRD4FYN
SCHEMBL4052345 0.68 PIK3CA (0.52) TNFKCNH2KMT2ABRD4FYN

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 4 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
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US 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 JAK2 98/4885JAK3 241/4885PTK2 141/4885

“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.