SCHEMBL3728635

SCHEMBL3728635

[2H]C([2H])([2H])Nc1cc(-c2cncc(-c3cnn(C4CCOCC4)c3)c2)cc(-c2ccccn2)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.43
IRAK4 Q9NWZ3 2/20 0.42
MKNK1 Q9BUB5 2/20 0.41
MET P08581 2/20 0.41
MKNK2 Q9HBH9 1/20 0.37
MAP3K5 Q99683 5/20 0.36
ACVR1 Q04771 1/20 0.36
JAK2 O60674 3/20 0.36
KHK P50053 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
NTRK1 P04629 1/20 0.36
TTK P33981 1/20 0.36
LRRK2 Q5S007 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
SCHEMBL3722850 0.94 ALK (0.45) ALKIRAK4MKNK1METMKNK2
SCHEMBL3724980 0.88 MET (0.42) METMAP3K5NTRK1
SCHEMBL3723366 0.84 MET (0.49) ALKIRAK4MKNK1METMKNK2
SCHEMBL3716550 0.83 ACVR1B (0.42) ALKIRAK4MKNK1METMKNK2
SCHEMBL3715497 0.83 IRAK4 (0.48) ALKIRAK4METNTRK1
SCHEMBL3719655 0.82 IRAK4 (0.43) ALKIRAK4MKNK1METMKNK2
SCHEMBL3719529 0.78 MAP4K3 (0.47) ALKIRAK4METACVR1NTRK1
SCHEMBL3717523 0.77 MET (0.48) METJAK2JAK3TTK
SCHEMBL3721843 0.76 ACVR1B (0.44) ALKMKNK1MKNK2JAK2JAK1
SCHEMBL4181566 0.76 MAPK1 (0.46) IRAK4MKNK1JAK2JAK1JAK3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK ALK 292/4885IRAK4 569/4885MKNK1 4339/4885

“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.