SCHEMBL1813115

SCHEMBL1813115

COC(=O)C(C)N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
KMT2A Q03164 4/20 0.49
TSHR P16473 1/20 0.47
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
ALDH1A1 P00352 2/20 0.46
AAK1 Q2M2I8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ESRRB O95718 1/20 0.42
MEN1 O00255 2/20 0.41
PLA2G1B P04054 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
ELANE P08246 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40

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
SCHEMBL1813116 1.00 GAA (0.49) GAAKMT2ATSHRPTGS1PTGS2
SCHEMBL22143539 0.85 KMT2A (0.51) GAAKMT2ATSHRPTGS1PTGS2
SCHEMBL1661845 0.83 MEN1 (0.53) GAAKMT2ATSHRALDH1A1AAK1
SCHEMBL30762080 0.83 MEN1 (0.53) GAAKMT2ATSHRALDH1A1AAK1
SCHEMBL9847924 0.83 MEN1 (0.53) GAAKMT2ATSHRALDH1A1AAK1
SCHEMBL8621325 0.81 KMT2A (0.49) GAAKMT2ATSHRPTGS1PTGS2
SCHEMBL12444218 0.81 AAK1 (0.60) GAATSHRALDH1A1AAK1KDM4E
SCHEMBL13251313 0.81 AAK1 (0.60) GAATSHRALDH1A1AAK1KDM4E
SCHEMBL1742740 0.81 ALDH1A1 (0.47) KMT2ATSHRPTGS1PTGS2ALDH1A1
SCHEMBL7292387 0.81 ALDH1A1 (0.47) KMT2ATSHRPTGS1PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238198-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-08-05 US disclosed
US-10968236-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-04-06 US disclosed
CN-107735400-B Cyclic sulfamoyl arylamide derivatives and their use as medicaments for the treatment of hepatitis B 爱尔兰詹森科学公司 2021-02-02 CN disclosed
US-20190248810-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-15 US disclosed
US-10253046-B2 TYK2 inhibitors and uses thereof Nimbus Lakshmi (US) 2019-04-09 US disclosed
US-20170305933-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-26 US disclosed
US-20170305933-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-26 US disclosed
WO-2016138352-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2016-09-01 WO disclosed
US-20160251376-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-01 US disclosed
US-20160251376-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-01 US disclosed
US-20080269302-A1 Macrocyclic Tertiary Amine Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2008-10-30 US disclosed
US-20080015233-A1 2,4,6-Substituted Pyridyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2008-01-17 US disclosed
US-20080015213-A1 Macrocyclic Aminopyridyl Beta-Secretase Inhibitors For The Treatment Of Alzheimer's Disease MERCK SHARP & DOHME LLC 2008-01-17 US disclosed
US-20070293497-A1 2,3,4,6-Substituted Pyridyl Derivative Compounds Useful As Beta-Secretase Inhibitors For The Treatment Of Alzheimer's Disease MERCK SHARP & DOHME LLC 2007-12-20 US disclosed
EP-1817312-A1 MACROCYCLIC AMINOPYRIDYL BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2007-08-15 EP disclosed
EP-1817311-A2 2,3,4,6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2007-08-15 EP disclosed
EP-1814537-A2 MACROCYCLIC TERTIARY AMINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2007-08-08 EP disclosed
WO-2006057983-A1 MACROCYCLIC AMINOPYRIDYL BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2006-06-01 WO disclosed
WO-2006057945-A2 2,3,4,6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2006-06-01 WO disclosed
WO-2006055434-A2 MACROCYCLIC TERTIARY AMINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2006-05-26 WO 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 (10 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-20210238198-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 GAA 1899/4885KMT2A 206/4885TSHR 1652/4885
US-10968236-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 GAA 1899/4885KMT2A 206/4885TSHR 1652/4885
US-20070293497-A1 2,3,4,6-Substituted Pyridyl Derivative Compounds Useful As Beta-Secretase Inhibitors For The Treatment Of Alzheimer's Disease BACE1, BACE2, PSEN2 GAA 51/4885KMT2A 3173/4885TSHR 4778/4885
US-20080015233-A1 2,4,6-Substituted Pyridyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease BACE1, BACE2, PSEN2 GAA 54/4885KMT2A 3082/4885TSHR 4787/4885
US-20160251376-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 GAA 1899/4885KMT2A 206/4885TSHR 1652/4885
US-20170305933-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 GAA 1899/4885KMT2A 206/4885TSHR 1652/4885
US-20080269302-A1 Macrocyclic Tertiary Amine Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease BACE1, BACE2, PSEN1 GAA 15/4885KMT2A 1848/4885TSHR 3764/4885
US-10253046-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 GAA 1899/4885KMT2A 206/4885TSHR 1652/4885
US-20080015213-A1 Macrocyclic Aminopyridyl Beta-Secretase Inhibitors For The Treatment Of Alzheimer's Disease BACE1, BACE2, APP GAA 26/4885KMT2A 2459/4885TSHR 4740/4885
US-20190248810-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 GAA 1899/4885KMT2A 206/4885TSHR 1652/4885

“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.