SCHEMBL3942822

SCHEMBL3942822

Nc1cccc2[nH]c(=O)cnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.46
RPS6KA3 P51812 1/20 0.46
CSNK2A1 P68400 1/20 0.46
PLK3 Q9H4B4 1/20 0.46
POLB P06746 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PARP1 P09874 6/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
PMP22 Q01453 1/20 0.42
CHEK1 O14757 1/20 0.38
THRB P10828 1/20 0.35

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
SCHEMBL21530547 0.78 PARP1 (0.42) MAPKAPK2RPS6KA3CSNK2A1PLK3GAA
SCHEMBL26111670 0.78 NOS1 (0.39) MAPKAPK2RPS6KA3CSNK2A1PLK3MEN1
SCHEMBL29650339 0.78 PSMB8 (0.45) MAPKAPK2RPS6KA3CSNK2A1PLK3GAA
SCHEMBL1041260 0.78 KDM4E (0.42) MAPKAPK2RPS6KA3CSNK2A1PLK3GAA
SCHEMBL13723653 0.78 ADORA3 (0.44) TDP1GAAPARP1ALDH1A1
SCHEMBL30592183 0.78 NOS1 (0.39) MAPKAPK2RPS6KA3CSNK2A1PLK3MEN1
SCHEMBL2359356 0.78 PSMB8 (0.45) MAPKAPK2RPS6KA3CSNK2A1PLK3GAA
SCHEMBL30196908 0.78 PARP1 (0.42) MAPKAPK2RPS6KA3CSNK2A1PLK3GAA
SCHEMBL15935219 0.77 KIF11 (0.40) MAPKAPK2RPS6KA3CSNK2A1PLK3POLB
SCHEMBL18673068 0.77 HCAR1 (0.38) MAPKAPK2RPS6KA3CSNK2A1PLK3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556135-B2 Amino-dihydrothiazine and amino-dioxido dihydrothiazine compounds as beta-secretase antagonists and methods of use AMGEN, INC. (US) 2017-01-31 US disclosed
US-9309263-B2 Fused multi-cyclic sulfone compounds as inhibitors of beta-secretase and methods of use thereof AMGEN INC. (US) 2016-04-12 US disclosed
US-20150259308-A1 AMINO-DIHYDROTHIAZINE AND AMINO-DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE AMGEN INC. (US) 2015-09-17 US disclosed
US-20150252059-A1 BRIDGED BICYCLIC AMINO THIAZINE DIOXIDE COMPOUNDS AS INHIBITORS OF BETA-SECRETASE AND METHODS OF USE THEREOF AMGEN INC (US) 2015-09-10 US disclosed
US-9096615-B2 Bridged bicyclic amino thiazine dioxide compounds as inhibitors of beta-secretase and methods of use thereof AMGEN INC. (US) 2015-08-04 US disclosed
US-20150038497-A1 BRIDGED BICYCLIC AMINO THIAZINE DIOXIDE COMPOUNDS AS INHIBITORS OF BETA-SECRETASE AND METHODS OF USE THEREOF AMGEN INC. 2015-02-05 US disclosed
US-20140213581-A1 FUSED MULTI-CYCLIC SULFONE COMPOUNDS AS INHIBITORS OF BETA-SECRETASE AND METHODS OF USE THEREOF AMGEN INC. 2014-07-31 US disclosed
US-20140107109-A1 AMINO-DIHYDROTHIAZINE AND AMINO-DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE AMGEN INC. 2014-04-17 US disclosed
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 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 (6 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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 MAPKAPK2 3496/4885RPS6KA3 771/4885CSNK2A1 1486/4885
US-20150252059-A1 BRIDGED BICYCLIC AMINO THIAZINE DIOXIDE COMPOUNDS AS INHIBITORS OF BETA-SECRETASE AND METHODS OF USE THEREOF BACE1, BACE2, APP MAPKAPK2 4234/4885RPS6KA3 3007/4885CSNK2A1 843/4885
US-20140107109-A1 AMINO-DIHYDROTHIAZINE AND AMINO-DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE BACE1, BACE2, APP MAPKAPK2 4085/4885RPS6KA3 3137/4885CSNK2A1 1236/4885
US-20150038497-A1 BRIDGED BICYCLIC AMINO THIAZINE DIOXIDE COMPOUNDS AS INHIBITORS OF BETA-SECRETASE AND METHODS OF USE THEREOF BACE1, BACE2, APP MAPKAPK2 4234/4885RPS6KA3 3007/4885CSNK2A1 843/4885
US-20140213581-A1 FUSED MULTI-CYCLIC SULFONE COMPOUNDS AS INHIBITORS OF BETA-SECRETASE AND METHODS OF USE THEREOF BACE1, BACE2, APP MAPKAPK2 4495/4885RPS6KA3 2379/4885CSNK2A1 1066/4885
US-20150259308-A1 AMINO-DIHYDROTHIAZINE AND AMINO-DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE BACE1, BACE2, APP MAPKAPK2 4085/4885RPS6KA3 3137/4885CSNK2A1 1236/4885

“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.