SCHEMBL835655

SCHEMBL835655

CN1CCN(c2ccc(-c3cnn4c(-c5ccnc(-c6cn[nH]c6)c5)cnc4c3)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1B P36896 1/20 0.47
TGFBR1 P36897 1/20 0.47
FYN P06241 6/20 0.46
FGFR3 P22607 2/20 0.42
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
DYRK1A Q13627 3/20 0.40
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
IL2 P60568 1/20 0.40
MAP4K1 Q92918 1/20 0.40
TDO2 P48775 1/20 0.39
ALK Q9UM73 5/20 0.39
PLK4 O00444 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 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
SCHEMBL836225 0.87 FYN (0.56) ACVR1BTGFBR1FYNFGFR3ALK
SCHEMBL2342701 0.76 HRH4 (0.35) ACVR1BTGFBR1FYNDYRK1AWNT1
SCHEMBL2342708 0.74 ACVR1 (0.39) DYRK1AGSK3BNTRK2CLK2PRKD1
SCHEMBL835807 0.73 FYN (0.45) FYNIL2MAP4K1TDO2ALK
SCHEMBL31403796 0.72 FYN (0.47) FYNDYRK1AWNT1GSK3BFLT3
SCHEMBL3028730 0.72 FYN (0.61) ACVR1BTGFBR1FYNFGFR3FLT3
SCHEMBL16331187 0.70 FYN (0.54) ACVR1BTGFBR1FYNDYRK1ATDO2
SCHEMBL3020709 0.69 FYN (0.55) ACVR1BTGFBR1FYNFLT3
SCHEMBL15344115 0.68 ACVR1B (0.57) ACVR1BTGFBR1FYNTLR9TLR8
SCHEMBL29516517 0.67 RET (0.60) ACVR1BTGFBR1TLR9TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US claimed
EP-2183027-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-08-31 EP claimed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 US claimed
EP-2183027-A1 ORGANIC COMPOUNDS Novartis Ag (CH) 2010-05-12 EP claimed
WO-2009013335-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-01-29 WO claimed
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
EP-2183027-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-08-31 EP disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 US disclosed
EP-2183027-A1 ORGANIC COMPOUNDS Novartis Ag (CH) 2010-05-12 EP disclosed
WO-2009013335-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-01-29 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-20100204235-A1 ORGANIC COMPOUNDS ALK, OR10J3, FFAR4 ACVR1B 16/4885TGFBR1 44/4885FYN 971/4885

“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.