SCHEMBL3517685

SCHEMBL3517685

Nc1ncc(-c2ccc3ncc(-c4ccc(C(=O)N5CCN(CC(=O)N6CCOCC6)CC5)cc4)n3n2)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 11/20 0.54
MKNK2 Q9HBH9 11/20 0.54
EIF4E P06730 4/20 0.49
TNF P01375 2/20 0.48
KCNH2 Q12809 3/20 0.47
CYP3A4 P08684 1/20 0.43
FYN P06241 1/20 0.42
ERN1 O75460 1/20 0.42
PIM1 P11309 1/20 0.42
GRIN2B Q13224 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
SCHEMBL3516131 0.92 MKNK1 (0.55) MKNK1MKNK2EIF4ETNFKCNH2
SCHEMBL12986349 0.92 TNF (0.47) MKNK1MKNK2EIF4ETNFKCNH2
SCHEMBL3514853 0.88 PIK3CA (0.48) MKNK1MKNK2TNFFYNPIM1
SCHEMBL12985897 0.86 TNF (0.52) MKNK1MKNK2EIF4ETNFKCNH2
SCHEMBL3514391 0.84 MKNK1 (0.55) MKNK1MKNK2EIF4ETNFKCNH2
SCHEMBL3514308 0.83 MKNK1 (0.50) MKNK1MKNK2EIF4ETNFKCNH2
SCHEMBL3515930 0.83 TNF (0.49) MKNK1MKNK2TNFKCNH2CYP3A4
SCHEMBL3516142 0.82 TNF (0.48) MKNK1MKNK2EIF4ETNFPIM1
SCHEMBL3516944 0.82 ALDH1A1 (0.51) MKNK1MKNK2EIF4ETNFKCNH2
SCHEMBL3513643 0.81 TNF (0.47) MKNK1MKNK2EIF4ETNFCYP3A4

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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US claimed
EP-2155202-A2 3,6-DISUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINES AND 3,5-DISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP claimed
WO-2008138889-A2 3, 6-DISUBSTITUTED-IMIDAZO [1, 2-B] PYRIDAZINES AND 3, 5-DISUBSTITUTED PYRAZOLO[1, 5-A] PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 WO claimed
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US 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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A MKNK1 109/4885MKNK2 149/4885EIF4E 1467/4885

“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.