SCHEMBL14916613

SCHEMBL14916613

N#CC1(Nc2ccc(-c3cccnc3)cc2)CCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.65
CYP11B2 P19099 3/20 0.49
GAA P10253 1/20 0.46
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
CYP2A6 P11509 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
JAK3 P52333 2/20 0.41
IDO1 P14902 1/20 0.41
HDAC1 Q13547 1/20 0.41
CYP11B1 P15538 2/20 0.40
CYP17A1 P05093 1/20 0.40
PDE4A P27815 1/20 0.39
KIF11 P52732 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
NAAA Q02083 1/20 0.38

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
SCHEMBL12456434 0.84 CYP1A2 (0.71) CYP1A2GAACYP3A4JAK3PDE4A
SCHEMBL12456432 0.84 CYP1A2 (0.51) CYP1A2CYP11B2GAAALDH1A1JAK3
SCHEMBL14916729 0.84 CYP1A2 (0.75) CYP1A2GAACTSLCTSSCTSK
SCHEMBL1715467 0.84 CYP1A2 (0.80) CYP1A2GAACTSLCTSBCTSS
SCHEMBL12456469 0.81 CYP1A2 (0.65) CYP1A2GAAJAK3IDO1PDE4A
SCHEMBL12456042 0.80 CYP19A1 (0.52) CYP1A2GAAALDH1A1JAK3
SCHEMBL193553 0.80 CYP1A2 (0.54) CYP1A2GAAALDH1A1JAK3PDE4A
SCHEMBL12456426 0.78 CYP1A2 (0.61) CYP1A2CYP11B2GAACYP11B1PDE4A
SCHEMBL12456468 0.78 CYP1A2 (0.61) CYP1A2CYP11B2GAACYP2A6CYP11B1
SCHEMBL12456473 0.77 CYP1A2 (0.56) CYP1A2CYP11B2GAAJAK3CYP11B1

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 19 patents. 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
EP-3124481-A1 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
EP-2824102-B1 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-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
US-9108944-B2 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2015-08-18 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 CYP1A2 767/4885CYP11B2 51/4885GAA 3086/4885
US-20150182529-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF AR, ESRRA, NR5A1 CYP1A2 767/4885CYP11B2 51/4885GAA 3086/4885
US-10023556-B2 Androgen receptor modulators and uses thereof AR, ESRRA, NR5A1 CYP1A2 767/4885CYP11B2 51/4885GAA 3086/4885
US-20160376252-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF AR, ESRRA, NR5A1 CYP1A2 767/4885CYP11B2 51/4885GAA 3086/4885

“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.