SCHEMBL19742572

SCHEMBL19742572

CCN(C(=O)O)N(C)c1ccc(N)cc1C[S+](C)[O-]

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.35
ACHE P22303 2/20 0.35
CHRM2 P08172 1/20 0.30
CHRM3 P20309 1/20 0.30
MAOA P21397 1/20 0.30
HTR2C P28335 1/20 0.30
CHRNA4 P43681 1/20 0.30
HTR3A P46098 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
HCAR3 P49019 1/20 0.30

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
SCHEMBL19742630 0.84 PRKCI (0.32) PRKCIACHE
SCHEMBL19742639 0.80 PRKCI (0.37) PRKCIACHECHRM2CHRM3MAOA
SCHEMBL19742593 0.79 HCAR3 (0.34) PRKCIACHEHCAR3
SCHEMBL19753974 0.73 HCAR3 (0.37) PRKCIACHEHCAR3
SCHEMBL19742799 0.73 PPIB (0.38)
SCHEMBL19742573 0.73 LMNA (0.33) ACHEHCAR3
SCHEMBL19742420 0.71
SCHEMBL19742615 0.70
SCHEMBL30279943 0.69 PRKCI (0.30) PRKCI
SCHEMBL19742666 0.69 ALDH1A1 (0.32) PRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3474855-B1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS INC (US) 2022-01-26 EP disclosed
EP-3474855-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF Polaris Pharmaceuticals, Inc. (US) 2019-05-01 EP disclosed
US-10227344-B2 CK2 inhibitors, compositions and methods thereof POLARIS PHARMACEUTICALS, INC. (US) 2019-03-12 US disclosed
WO-2017223432-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS (US) 2017-12-28 WO disclosed
US-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS 2017-12-28 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-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF CSNK1A1, CSNK2A1, CSNK2A3 PRKCI 67/4885ACHE 2707/4885CHRM2 1312/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 PRKCI 67/4885ACHE 2707/4885CHRM2 1312/4885

“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.