SCHEMBL3718052

SCHEMBL3718052

CC(C)N1CCC(n2cc(-c3cncc(-c4cc(CN)nc(-c5ccccn5)c4)c3)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.43
AXL P30530 1/20 0.41
MERTK Q12866 1/20 0.41
MAP4K3 Q8IVH8 2/20 0.39
GSK3B P49841 2/20 0.38
DYRK1A Q13627 2/20 0.38
EGFR P00533 1/20 0.36
MAP3K5 Q99683 1/20 0.36
JAK2 O60674 1/20 0.35
FLT4 P35916 1/20 0.35
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
IRAK1 P51617 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
OGA O60502 1/20 0.34
NTRK1 P04629 1/20 0.34

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
SCHEMBL3721646 0.89 MET (0.44) METAXLMERTKMAP4K3GSK3B
SCHEMBL3724980 0.84 MET (0.42) METAXLMERTKGSK3BDYRK1A
SCHEMBL17287917 0.84 MET (0.42) METAXLMERTKMAP4K3GSK3B
SCHEMBL3721745 0.82 CYP11B2 (0.35) METGSK3BDYRK1AJAK2
SCHEMBL3717465 0.78 DRD2 (0.41)
SCHEMBL3720795 0.77 DRD2 (0.38) DYRK1ACLK2CLK3
SCHEMBL3719529 0.75 MAP4K3 (0.47) METMAP4K3IRAK1IRAK4NTRK1
SCHEMBL3721182 0.75 GRM5 (0.36)
SCHEMBL3723366 0.74 MET (0.49) METMAP4K3JAK2IRAK4
SCHEMBL3718389 0.74 MAP4K3 (0.53) METMAP4K3JAK2IRAK1IRAK4

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 1544/4885AXL 3452/4885MERTK 4434/4885

“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.