SCHEMBL216843

SCHEMBL216843

Nc1nc2cc(OCCN3CCN(CCCO)CC3)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.44
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
DRD3 P35462 3/20 0.42
ACHE P22303 2/20 0.42
CHIT1 Q13231 1/20 0.42
CHIA Q9BZP6 1/20 0.42
XDH P47989 2/20 0.41
DRD2 P14416 3/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 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
SCHEMBL214173 0.87 DRD3 (0.49) LTA4HHTR1AHTR1DHTR1BDRD3
SCHEMBL15938764 0.87 LTA4H (0.57) LTA4HACHEPDGFRBPDGFRA
SCHEMBL215485 0.86 DRD3 (0.56) LTA4HDRD3DRD2
SCHEMBL4115346 0.84 DRD3 (0.48) LTA4HHTR1AHTR1DHTR1BDRD3
SCHEMBL10247571 0.84 HRH3 (0.55) LTA4H
SCHEMBL213144 0.79 PDE3B (0.50) HTR1ADRD3DRD2
SCHEMBL214233 0.76 KMT2A (0.49) LTA4HDRD3CYP2D6KMT2ALMNA
SCHEMBL11707869 0.73 XDH (0.49) HTR1AHTR1DHTR1BXDHCYP2D6
SCHEMBL15938763 0.73 CHEK2 (0.56) LTA4HDRD3ACHEDRD2PDGFRB
SCHEMBL8265310 0.72 LTA4H (0.57) LTA4HACHEPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 LTA4H 2740/4885HTR1A 3143/4885HTR1D 3705/4885

“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.