SCHEMBL1444804

SCHEMBL1444804

COc1c(C#N)ccc(N2C(=O)C(C)(C)N(c3ccc(C#N)cc3)C2=S)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.48
ABCG2 Q9UNQ0 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
NR1I2 O75469 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
KLK3 P07288 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
CNR1 P21554 1/20 0.41
TBXA2R P21731 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41

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
SCHEMBL1443920 0.93 AR (0.49) ARABCG2GABRPGABRDNR1I2
SCHEMBL1443812 0.92 AR (0.48) ARABCG2GABRPGABRDNR1I2
SCHEMBL11938775 0.91 AR (0.48) ARABCG2GABRPGABRDNR1I2
SCHEMBL1443839 0.88 AR (0.46) ARABCG2GABRPGABRDNR1I2
SCHEMBL11938782 0.86 AR (0.51) ARABCG2GABRPGABRDNR1I2
SCHEMBL1443924 0.86 AR (0.48) ARABCG2GABRPGABRDNR1I2
Faznolutamide SCHEMBL1444059 0.85 AR (0.43) ARABCG2GABRPGABRDNR1I2
Faznolutamide SCHEMBL31453007 0.85 AR (0.43) ARABCG2GABRPGABRDNR1I2
SCHEMBL1444721 0.85 AR (0.50) ARABCG2GABRPGABRDNR1I2
SCHEMBL11939276 0.85 AR (0.50) ARABCG2GABRPGABRDNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475647-B1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF SUZHOU KINTOR PHARMACEUTICALS INC (CN) 2015-11-04 EP disclosed
EP-2475647-B1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF SUZHOU KINTOR PHARMACEUTICALS INC (CN) 2015-11-04 EP disclosed
US-20140315957-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF TONG YOUZHI (CN) 2014-10-23 US disclosed
US-20140315957-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF TONG YOUZHI (CN) 2014-10-23 US disclosed
US-8809550-B2 Androgen receptor antagonists and uses thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2014-08-19 US disclosed
US-8809550-B2 Androgen receptor antagonists and uses thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2014-08-19 US disclosed
EP-2475647-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF Tong, Youzhi (CN) 2012-07-18 EP disclosed
US-20120172406-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF Tong, Youzhi (CN) 2012-07-05 US disclosed
US-20120172406-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF Tong, Youzhi (CN) 2012-07-05 US disclosed
WO-2011029392-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF TONG YOUZHI (CN) 2011-03-17 WO disclosed
WO-2011029392-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF TONG YOUZHI (CN) 2011-03-17 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 (2 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-20120172406-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF AR, SHBG, MUSK AR 1/4885ABCG2 1759/4885GABRP 1686/4885
US-20140315957-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF AR, SHBG, MUSK AR 1/4885ABCG2 1759/4885GABRP 1686/4885

“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.