SCHEMBL3433540

SCHEMBL3433540

CS(=O)(=O)c1nc(N)nc(-c2ccccc2)c1N1CC2CC1CN2

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.44
CHRNB2 P17787 5/20 0.43
CHRNA4 P43681 5/20 0.43
CSNK1E P49674 1/20 0.40
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39

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
SCHEMBL15393065 0.83 HRH4 (0.48) HRH4CHRNB2CHRNA4CSNK1ECHRNB4
SCHEMBL3431233 0.83 HRH4 (0.52) HRH4CHRNB2CHRNA4CSNK1E
SCHEMBL3430563 0.76 HRH4 (0.54) HRH4CHRNB2CHRNA4CSNK1E
SCHEMBL15392723 0.73 CHRNB2 (0.52) HRH4CHRNB2CHRNA4CSNK1ECHRNB4
SCHEMBL3433512 0.72 CHRNB2 (0.51) HRH4CHRNB2CHRNA4CSNK1ECHRNB4
SCHEMBL4514914 0.67 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5786902 0.66 ALDH1A1 (0.54) HRH4CHRNB2CHRNA4CSNK1ECHRNB4
Hydrochloric Acid SCHEMBL5788832 0.65 ALDH1A1 (0.52) HRH4CHRNB2CHRNA4CSNK1ECHRNB4
SCHEMBL3433510 0.65 HRH4 (0.52) HRH4CHRNB2CHRNA4
SCHEMBL4785217 0.65 CHRNA7 (0.52)

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-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
EP-2265607-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES Rigel Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009103032-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-08-20 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-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 HRH4 4318/4885CHRNB2 781/4885CHRNA4 1192/4885

“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.