SCHEMBL3306203

SCHEMBL3306203

Clc1cnccc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.54
RPS6KA3 P51812 2/20 0.50
GSK3B P49841 3/20 0.49
PRKACA P17612 2/20 0.49
CDK2 P24941 2/20 0.49
CDC7 O00311 1/20 0.49
ROCK2 O75116 1/20 0.49
MAP4K4 O95819 1/20 0.49
HIPK2 Q9H2X6 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
IRAK4 Q9NWZ3 1/20 0.49
TNF P01375 1/20 0.48
NOTUM Q6P988 1/20 0.46
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
GAA P10253 1/20 0.45
CYP1A2 P05177 4/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2E1 P05181 3/20 0.45

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
SCHEMBL28457549 0.83 LATS1 (0.43) RPS6KA3GSK3BPRKACACDK2CDC7
SCHEMBL1898243 0.83 CYP2A6 (0.54) CYP2A6RPS6KA3GSK3BPRKACACDK2
SCHEMBL31301252 0.81 GSK3B (0.59) RPS6KA3GSK3BPRKACACDK2CDC7
SCHEMBL21692148 0.79 RPS6KA3 (0.59) CYP2A6RPS6KA3GSK3BPRKACACDK2
SCHEMBL21692174 0.79 RPS6KA3 (0.59) CYP2A6RPS6KA3GSK3BPRKACACDK2
SCHEMBL8716812 0.79 RPS6KA3 (0.65) CYP2A6RPS6KA3GSK3BPRKACACDK2
SCHEMBL25256670 0.79 GAA (0.52) RPS6KA3GSK3BPRKACACDK2CDC7
SCHEMBL31470912 0.79 RPS6KA3 (0.61) RPS6KA3GSK3BPRKACACDK2CDC7
SCHEMBL19998587 0.79 RPS6KA3 (0.53) RPS6KA3GSK3BPRKACACDK2CDC7
SCHEMBL28857801 0.79 CCNA2 (0.52) GSK3BCDK2GAANPC1RAB9A

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3943490-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS Mission Therapeutics Limited (GB) 2022-01-26 EP disclosed
US-11066365-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors MISSION THERAPEUTICS LIMITED (GB) 2021-07-20 US disclosed
EP-3277677-B9 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LTD (GB) 2021-07-14 EP disclosed
US-11053198-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors MISSION THERAPEUTICS LIMITED (GB) 2021-07-06 US disclosed
EP-3842427-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS Mission Therapeutics Limited (GB) 2021-06-30 EP disclosed
EP-3277677-B1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LTD (GB) 2021-02-24 EP disclosed
US-10689345-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors MISSION THERAPEUTICS LIMITED (GB) 2020-06-23 US disclosed
US-20200181086-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2020-06-11 US disclosed
US-20190322624-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2019-10-24 US disclosed
US-20190284138-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2019-09-19 US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 US disclosed
EP-2086982-A1 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2009-08-12 EP disclosed
WO-2008057209-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 WO disclosed
WO-2008057209-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 WO disclosed
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 EP 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 (8 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-20100099695-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC CYP2A6 346/4885RPS6KA3 1448/4885GSK3B 1869/4885
US-11066365-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors USP30, USP20, USP10 CYP2A6 3378/4885RPS6KA3 2611/4885GSK3B 2646/4885
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 CYP2A6 3190/4885RPS6KA3 2658/4885GSK3B 1274/4885
US-11053198-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors USP30, USP20, USP10 CYP2A6 3808/4885RPS6KA3 2793/4885GSK3B 2610/4885
US-20200181086-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS USP30, USP20, USP10 CYP2A6 3794/4885RPS6KA3 2758/4885GSK3B 2512/4885
US-20190284138-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS USP30, USP20, USP10 CYP2A6 3378/4885RPS6KA3 2611/4885GSK3B 2646/4885
US-20190322624-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS USP30, USP20, USP10 CYP2A6 3808/4885RPS6KA3 2793/4885GSK3B 2610/4885
US-10689345-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors USP30, USP20, USP10 CYP2A6 3808/4885RPS6KA3 2793/4885GSK3B 2610/4885

“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.