SCHEMBL3029657

SCHEMBL3029657

c1cc(-c2cnc3ccc(-c4ccc(N5CCNCC5)nc4)cn23)cc(-c2ccoc2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.44
MKNK2 Q9HBH9 3/20 0.44
FYN P06241 8/20 0.42
FLT3 P36888 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
PDE10A Q9Y233 3/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
RET P07949 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL3020709 0.90 FYN (0.55) MKNK1MKNK2FYNFLT3HDAC3
SCHEMBL3022103 0.84 MKNK1 (0.50) MKNK1MKNK2FYNFLT3
SCHEMBL3035770 0.78 FLT3 (0.66) MKNK1MKNK2FYNFLT3IRAK4
SCHEMBL15743290 0.77 HDAC3 (0.47) MKNK1MKNK2FYNHDAC3HDAC2
SCHEMBL15743179 0.77 KCNH2 (0.47) MKNK1MKNK2FYNPDE10ARET
SCHEMBL3031128 0.76 FYN (0.42) MKNK1MKNK2FYNFLT3
SCHEMBL3022710 0.76 PIK3CA (0.51) MKNK1MKNK2FYNFLT3
SCHEMBL3027184 0.75 FYN (0.48) MKNK1MKNK2FYNFLT3IRAK4
SCHEMBL3035727 0.75 MKNK1 (0.56) MKNK1MKNK2FYNFLT3
SCHEMBL3020669 0.73 FYN (0.46) MKNK1MKNK2FYNFLT3

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
US-8367662-B2 Organic compounds NOVARTIS AG (CH) 2013-02-05 US disclosed
EP-2212323-B1 IMIDAZO [1,2-A] PYRIDINE DERIVATIVES USEFUL AS ALK INHIBITORS NOVARTIS AG (CH) 2012-08-15 EP disclosed
US-20100210641-A1 Organic Compounds NOVARTIS AG (CH) 2010-08-19 US disclosed
EP-2212323-A2 IMIDAZO [1,2-A] PYRIDINE DERIVATIVES USEFUL AS ALK INHIBITORS Novartis AG (CH) 2010-08-04 EP disclosed
WO-2009050183-A2 IMIDAZO [1, 2-A] PYRIDINE DERIVATIVES USEFUL AS ALK INHIBITORS NOVARTIS AG (CH) 2009-04-23 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-20100210641-A1 Organic Compounds ALK, ACVR1, ACVRL1 MKNK1 3849/4885MKNK2 4013/4885FYN 1939/4885

“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.