SCHEMBL14701556

SCHEMBL14701556

CC(C)NCCc1cn[nH]c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.44
HAT1 O14929 1/20 0.41
EP300 Q09472 1/20 0.41
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
ACACB O00763 1/20 0.36
PDCD1LG2 Q9BQ51 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
MAPK1 P28482 1/20 0.35
PAX8 Q06710 1/20 0.35
HRH2 P25021 1/20 0.35
KCNH2 Q12809 1/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
LMNA P02545 1/20 0.33
APEX1 P27695 1/20 0.33
PMP22 Q01453 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
SCHEMBL27414689 0.81 NOS2 (0.46) NOS2KCNH2LMNAAPEX1PMP22
SCHEMBL12235364 0.79
SCHEMBL26763693 0.75 NOS2 (0.49) NOS2HAT1EP300ACACBMAPK1
SCHEMBL21263656 0.75 NOS2 (0.44) NOS2HAT1EP300ACACBMAPK1
SCHEMBL13138903 0.75 NOS2 (0.47) NOS2ACACBMAPK1PAX8HRH2
SCHEMBL9970752 0.75
SCHEMBL24581986 0.74 PDCD1LG2 (0.41) NOS2HRH4HRH3PDCD1LG2CD274
SCHEMBL19001268 0.74 HRH4 (0.39) NOS2HAT1EP300HRH4HRH3
SCHEMBL17950152 0.72 MEN1 (0.46) NOS2HRH4HRH3HRH2KCNH2
SCHEMBL16869441 0.72 NOS2 (0.45) NOS2ACACBMAPK1PAX8HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040933-A1 AZAINDOLES AS JANUS KINASE INHIBITORS CASH BRANDON (US) 2013-02-14 US 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-20130040933-A1 AZAINDOLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 NOS2 504/4885HAT1 1605/4885EP300 318/4885

“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.