SCHEMBL2350798

SCHEMBL2350798

N#Cc1ncc(N=C=S)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
POLB P06746 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ABCB11 O95342 1/20 0.43
NR3C1 P04150 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ADRA2C P18825 1/20 0.43
MAOA P21397 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 1/20 0.43
CCR2 P41597 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GABRP O00591 2/20 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
SCHEMBL5380803 0.71 ALDH1A1 (0.68) ALDH1A1POLBABCB11NR3C1CYP1A2
SCHEMBL3205617 0.70 ALDH1A1 (0.52) ALDH1A1POLBKDM4EABCB11NR3C1
SCHEMBL29620864 0.70 APLNR (0.53) ALDH1A1POLBKDM4EABCB11NR3C1
SCHEMBL2354952 0.69 ALDH1A1 (0.61) ALDH1A1POLBKDM4ECYP3A4HPGD
SCHEMBL755947 0.69 ALDH1A1 (0.61) ALDH1A1POLBKDM4EHPGDALOX15
SCHEMBL13146691 0.69 KDM4E (0.61) ALDH1A1POLBKDM4ECYP1A2HPGD
SCHEMBL30549465 0.69 KDM4E (0.33) ALDH1A1POLBKDM4EAPLNR
SCHEMBL1997655 0.67 ALDH1A1 (0.75) ALDH1A1POLBKDM4EABCB11NR3C1
SCHEMBL27887865 0.67 CYP1A2 (0.61) ALDH1A1POLBKDM4EABCB11NR3C1
SCHEMBL13097705 0.67 ALDH1A1 (0.58) ALDH1A1POLBKDM4EHPGDALOX15

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 27 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
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
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
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-3124481-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF Aragon Pharmaceuticals, Inc. (US) 2017-02-01 EP disclosed
EP-2824102-B1 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS INC (US) 2017-02-01 EP disclosed
US-9108944-B2 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-20150182529-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS INC (US) 2015-07-02 US disclosed
US-20150182529-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS INC (US) 2015-07-02 US disclosed
EP-2824102-A1 Androgen receptor modulators and uses thereof Aragon Pharmaceuticals, Inc. (US) 2015-01-14 EP disclosed
EP-2824102-A1 Androgen receptor modulators and uses thereof Aragon Pharmaceuticals, Inc. (US) 2015-01-14 EP disclosed
US-20130116258-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-05-09 US disclosed
US-20130116258-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-05-09 US disclosed
EP-2536708-A2 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF Aragon Pharmaceuticals, Inc. (US) 2012-12-26 EP disclosed
WO-2011103202-A2 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2011-08-25 WO disclosed
WO-2011103202-A2 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2011-08-25 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 (3 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-20130116258-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF AR, ESRRA, NR5A1 ALDH1A1 853/4885POLB 2949/4885KDM4E 3468/4885
US-20150182529-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF AR, ESRRA, NR5A1 ALDH1A1 853/4885POLB 2949/4885KDM4E 3468/4885
US-10023556-B2 Androgen receptor modulators and uses thereof AR, ESRRA, NR5A1 ALDH1A1 853/4885POLB 2949/4885KDM4E 3468/4885

“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.