SCHEMBL19742541

SCHEMBL19742541

C[S+]([O-])Cc1cc(N)ccc1C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.42
FEN1 P39748 3/20 0.42
NR1H2 P55055 1/20 0.42
SCN9A Q15858 1/20 0.41
USP30 Q70CQ3 2/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGDS O60760 1/20 0.39
KDM1A O60341 1/20 0.39
BACE1 P56817 2/20 0.38
ACKR3 P25106 1/20 0.38
CTSD P07339 1/20 0.38
PDE4B Q07343 1/20 0.38
TRPV3 Q8NET8 1/20 0.38
PRMT5 O14744 1/20 0.38

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
SCHEMBL19742620 0.95 PDE4B (0.43) ALOX5APFEN1NR1H2USP30MAPT
SCHEMBL19754004 0.86 ALDH1A1 (0.44) ALOX5APFEN1SCN9AUSP30JAK2
SCHEMBL19742764 0.86 PROKR1 (0.39) SCN9A
SCHEMBL19742490 0.84 SCN9A (0.46) ALOX5APFEN1NR1H2SCN9AUSP30
SCHEMBL28288994 0.83 PROKR1 (0.33)
SCHEMBL30962762 0.81 NR1H2 (0.48) ALOX5APFEN1NR1H2SCN9AUSP30
SCHEMBL19742608 0.80 BTK (0.37) ALDH1A1MAPTKMT2A
SCHEMBL19742765 0.80 BTK (0.37) ALDH1A1MAPTKMT2A
SCHEMBL1422095 0.80 ALOX5AP (0.49) ALOX5APFEN1NR1H2SCN9AUSP30
SCHEMBL19742609 0.80 BTK (0.37) ALDH1A1MAPTKMT2A

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 8 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-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
US-10227344-B2 CK2 inhibitors, compositions and methods thereof POLARIS PHARMACEUTICALS, INC. (US) 2019-03-12 US disclosed
US-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS 2017-12-28 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 ALOX5AP 4363/4885FEN1 4731/4885NR1H2 1362/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 ALOX5AP 4363/4885FEN1 4731/4885NR1H2 1362/4885

“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.