SCHEMBL19035598

SCHEMBL19035598

C=CCOC(=O)Nc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.61
CHRNB4 P30926 1/20 0.61
CHRNA3 P32297 1/20 0.61
CHRNA4 P43681 1/20 0.61
GAA P10253 1/20 0.54
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
PKM P14618 3/20 0.53
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
ADORA3 P0DMS8 1/20 0.46
PIM1 P11309 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
FLT3 P36888 1/20 0.46

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
SCHEMBL11652274 0.85 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA4GAA
SCHEMBL23012307 0.81 GAA (0.61) CHRNB2CHRNB4CHRNA3CHRNA4GAA
SCHEMBL2633865 0.80 JAK3 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL29655094 0.80 NPC1 (0.60) GAANPC1RAB9APKMMEN1
SCHEMBL6179239 0.80 NPC1 (0.60) GAANPC1RAB9APKMMEN1
SCHEMBL19306200 0.78 GAA (0.57) CHRNB2CHRNB4CHRNA3CHRNA4GAA
SCHEMBL29558947 0.77 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4GAA
SCHEMBL6999550 0.77 MEN1 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL6998916 0.77 MEN1 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL11128983 0.77 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 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 (2 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-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 CHRNB2 4860/4885CHRNB4 4868/4885CHRNA3 4864/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 CHRNB2 4811/4885CHRNB4 4830/4885CHRNA3 4846/4885

“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.