SCHEMBL19742620

SCHEMBL19742620

C[S+]([O-])Cc1cc(N)ccc1C1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.43
NR1H2 P55055 1/20 0.43
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
ALOX5AP P20292 3/20 0.40
FEN1 P39748 3/20 0.40
USP30 Q70CQ3 3/20 0.39
GPR119 Q8TDV5 2/20 0.39
DPP4 P27487 1/20 0.38
HPGDS O60760 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
TRPV3 Q8NET8 1/20 0.37

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
SCHEMBL19742541 0.95 ALOX5AP (0.42) PDE4BNR1H2MAPTALOX5APFEN1
SCHEMBL19742609 0.85 BTK (0.37) MAPTSMN1; SMN2TP53
SCHEMBL19742765 0.85 BTK (0.37) MAPTSMN1; SMN2TP53
SCHEMBL19742767 0.85 BTK (0.37) MAPTSMN1; SMN2TP53
SCHEMBL19742608 0.85 BTK (0.37) MAPTSMN1; SMN2TP53
SCHEMBL29355826 0.84 GPR119 (0.44) PDE4BNR1H2MAPTKDM4ETHRB
SCHEMBL19754004 0.81 ALDH1A1 (0.44) PDE4BMAPTALOX5APFEN1USP30
SCHEMBL17397759 0.81 MAPT (0.49) NR1H2MAPTKDM4ETHRBALOX5AP
SCHEMBL30962613 0.81 NR1H2 (0.49) PDE4BNR1H2MAPTKDM4ETHRB
SCHEMBL28288994 0.80 PROKR1 (0.33)

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 PDE4B 3694/4885NR1H2 1362/4885MAPT 543/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 PDE4B 3694/4885NR1H2 1362/4885MAPT 543/4885

“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.