SCHEMBL835807

SCHEMBL835807

CN1CCN(c2ccc(-c3cnn4c(Br)cnc4c3)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.45
TDO2 P48775 1/20 0.45
RET P07949 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
IL2 P60568 1/20 0.42
MAP4K1 Q92918 1/20 0.42
TNKS O95271 3/20 0.42
MAP4K4 O95819 1/20 0.41
DGAT1 O75907 1/20 0.41
SOAT1 P35610 1/20 0.41
KCNH2 Q12809 1/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
HTR3A P46098 1/20 0.40
ALK Q9UM73 1/20 0.40

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
SCHEMBL837066 0.85 CNR2 (0.53) TDO2MAP4K1MAP4K4DGAT1SOAT1
SCHEMBL836225 0.76 FYN (0.56) FYNHDAC8ALK
SCHEMBL13111002 0.73 KDM4E (0.56) FYNHTR3A
SCHEMBL835655 0.73 ACVR1B (0.47) FYNTDO2RETIL2MAP4K1
SCHEMBL25415048 0.73 FGFR1 (0.47) FYN
SCHEMBL837225 0.73 MAP3K11 (0.42) TDO2
SCHEMBL13473247 0.71 CNR2 (0.49) FYNTDO2IL2MAP4K1TNKS
SCHEMBL17442149 0.71 FYN (0.53) FYNTDO2RETTNKSMAP4K4
SCHEMBL1691904 0.70 FLT3 (0.41) FYN
SCHEMBL13111035 0.69 KDM4E (0.51) HTR3A

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-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 FYN 971/4885TDO2 3322/4885RET 13/4885

“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.