SCHEMBL3724980

SCHEMBL3724980

[2H]C([2H])([2H])Nc1cc(-c2cncc(-c3cnn(C4CCN(C(C)C)CC4)c3)c2)cc(-c2ccccn2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.42
GSK3B P49841 6/20 0.41
DYRK1A Q13627 6/20 0.41
MAP3K5 Q99683 8/20 0.40
AXL P30530 1/20 0.39
MERTK Q12866 1/20 0.39
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
EGFR P00533 1/20 0.35
NTRK1 P04629 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 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
SCHEMBL3728635 0.88 ALK (0.43) METMAP3K5NTRK1
SCHEMBL3721646 0.86 MET (0.44) METGSK3BDYRK1AMAP3K5AXL
SCHEMBL3718052 0.84 MET (0.43) METGSK3BDYRK1AMAP3K5AXL
SCHEMBL17287917 0.83 MET (0.42) METGSK3BDYRK1AMAP3K5AXL
SCHEMBL3716550 0.82 ACVR1B (0.42) METGSK3BDYRK1A
SCHEMBL3722850 0.82 ALK (0.45) METMAP3K5
SCHEMBL3715497 0.82 IRAK4 (0.48) METNTRK1
SCHEMBL3718893 0.78 DRD2 (0.40)
SCHEMBL3717523 0.77 MET (0.48) METFGFR1FGFR2FGFR4FGFR3
SCHEMBL3721576 0.77 DRD2 (0.37) DYRK1A

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 MET 1544/4885GSK3B 3011/4885DYRK1A 4748/4885

“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.