SCHEMBL12644366

SCHEMBL12644366

CNc1cc(NC(=O)N2CCNCC2)[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
PAK4 O96013 3/20 0.39
PAK1 Q13153 1/20 0.35
CNR2 P34972 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HRH4 Q9H3N8 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PKM P14618 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL5597552 0.75 POLB (0.42) POLBPAK4PAK1CNR2HRH4
SCHEMBL5597622 0.75 POLB (0.51) POLBCYP1A2CYP2D6MAPTNPSR1
SCHEMBL12995570 0.70 POLB (0.69) POLBCYP1A2CYP2D6MAPTABL1
SCHEMBL14235389 0.69 EPHX1 (0.40) POLBMAPTJAK2JAK3HTT
SCHEMBL14235380 0.68 ALPL (0.48)
SCHEMBL18879038 0.67
SCHEMBL30576750 0.67 POLB (0.59) POLBMAPTNPSR1
SCHEMBL543268 0.67 NPSR1 (0.73) POLBCYP1A2CYP2D6MAPTNPSR1
SCHEMBL14235478 0.66 SMN1; SMN2 (0.50) MAPTNPSR1PIM1KDRFLT3
SCHEMBL5257 0.66 POLB (0.68) POLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. 2012-12-06 US disclosed
WO-2011079230-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-06-30 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-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS JAK2, JAK1, JAK3 POLB 3532/4885PAK4 576/4885PAK1 179/4885

“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.