SCHEMBL19742616

SCHEMBL19742616

CN(COC(=O)NC1CC1)c1ccc(N)cc1C[S+](C)[O-]

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.34
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
CSNK2A2 P19784 1/20 0.31
CSNK2A1 P68400 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EPHX1 P07099 2/20 0.30
MAPK14 Q16539 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
SCHEMBL19742596 0.75 PHLPP2 (0.34) TSHR
SCHEMBL19742573 0.73 LMNA (0.33) TSHRALDH1A1
SCHEMBL19742538 0.73 CKS1B (0.42)
SCHEMBL19742420 0.72
SCHEMBL19742593 0.72 HCAR3 (0.34) ALDH1A1
SCHEMBL19742584 0.71 MAPK1 (0.31)
SCHEMBL19742666 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL19754010 0.71 PPIA (0.32)
SCHEMBL19742615 0.70
SCHEMBL19753974 0.69 HCAR3 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109562111-B CK2 inhibitors, compositions and methods thereof 北极星药业股份有限公司 2023-04-04 CN disclosed
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 SMYD3 3034/4885TSHR 2394/4885ALDH1A1 4009/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 SMYD3 3034/4885TSHR 2394/4885ALDH1A1 4009/4885

“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.