SCHEMBL2354952

SCHEMBL2354952

N#Cc1ncc(N)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
KDM4E B2RXH2 6/20 0.61
POLB P06746 2/20 0.61
PIK3CD O00329 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 2/20 0.38
BCAT1 P54687 1/20 0.38
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NCF1 P14598 1/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 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
SCHEMBL3939571 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBALOX15HPGD
SCHEMBL755947 0.76 ALDH1A1 (0.61) ALDH1A1KDM4EPOLBPIK3CDSMN1; SMN2
SCHEMBL13146691 0.76 KDM4E (0.61) ALDH1A1KDM4EPOLBALOX15BCAT1
SCHEMBL13097705 0.73 ALDH1A1 (0.58) ALDH1A1KDM4EPOLBALOX15BCAT1
SCHEMBL17942772 0.73 KDM4E (0.49) ALDH1A1KDM4EPOLBPIK3CDSMN1; SMN2
SCHEMBL22853524 0.72 KDM4E (0.52) ALDH1A1KDM4EPOLBSMN1; SMN2ALOX15
SCHEMBL7286775 0.71 KDM4E (0.54) ALDH1A1KDM4EPOLBSMN1; SMN2ALOX15
SCHEMBL11666508 0.70 PIK3CD (0.43) ALDH1A1KDM4EPOLBPIK3CDSMN1; SMN2
SCHEMBL2350798 0.69 ALDH1A1 (0.53) ALDH1A1KDM4EPOLBALOX15BCAT1
SCHEMBL15824088 0.69 KDM4E (0.55) ALDH1A1KDM4EPOLBSMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3357917-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF Aragon Pharmaceuticals, Inc. (US) 2018-08-08 EP disclosed
US-10023556-B2 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2018-07-17 US disclosed
EP-3124481-B1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS INC (US) 2018-03-28 EP disclosed
CN-106983749-A Androgen receptor modifier and application thereof 亚拉冈制药公司 2017-07-28 CN disclosed
CN-103724322-B Androgen receptor modulators and uses thereof 亚拉冈制药公司 2017-05-03 CN disclosed
EP-2824102-B1 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS INC (US) 2017-02-01 EP disclosed
EP-3124481-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF Aragon Pharmaceuticals, Inc. (US) 2017-02-01 EP disclosed
US-20160376252-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS INC (US) 2016-12-29 US disclosed
US-9481664-B2 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
CN-102884057-B Androgen receptor modulators and uses thereof 亚拉冈制药公司 2016-09-14 CN disclosed
EP-1458723-A4 FUSED HETEROCYCLIC SUCCINIMIDECOMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2005-12-21 EP disclosed
US-20050272799-A1 Fused Heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2005-12-08 US disclosed
US-6953679-B2 Method for the preparation of fused heterocyclic succinimide compounds and analogs thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-11 US disclosed
US-20050192253-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E (US) 2005-09-01 US disclosed
US-20050119228-A1 METHOD FOR THE PREPARATION OF FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF BRISTOL-MYERS SQUIBB COMPANY 2005-06-02 US disclosed
EP-1458723-A1 FUSED HETEROCYCLIC SUCCINIMIDECOMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristols-Myers Squibb Company (US) 2004-09-22 EP disclosed
US-20040181064-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 US disclosed
US-20040077605-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US disclosed
US-20040019063-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-01-29 US disclosed
WO-2003062241-A1 FUSED HETEROCYCLIC SUCCINIMIDECOMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-31 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 (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-20040019063-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA ALDH1A1 1211/4885KDM4E 1161/4885POLB 3484/4885
US-20050119228-A1 METHOD FOR THE PREPARATION OF FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF SUCNR1, SHBG, FSHR ALDH1A1 1888/4885KDM4E 1002/4885POLB 2878/4885
US-20040077605-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 ALDH1A1 3219/4885KDM4E 942/4885POLB 3542/4885
US-20040181064-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA ALDH1A1 1051/4885KDM4E 1539/4885POLB 2574/4885
US-20050192253-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 ALDH1A1 3219/4885KDM4E 942/4885POLB 3542/4885
US-20050272799-A1 Fused Heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 ALDH1A1 3219/4885KDM4E 942/4885POLB 3542/4885
US-10023556-B2 Androgen receptor modulators and uses thereof AR, ESRRA, NR5A1 ALDH1A1 853/4885KDM4E 3468/4885POLB 2949/4885
US-20160376252-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF AR, ESRRA, NR5A1 ALDH1A1 853/4885KDM4E 3468/4885POLB 2949/4885

“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.