Sugi Predict

Sugi Predict / Compounds / SCHEMBL1813045

SCHEMBL1813045

SCHEMBL1813045

C[C@@H](CN)n1ccc(-c2cc(F)c(C#N)c(F)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 5/20 0.55
▸ EGLN2 Q96KS0 2/20 0.36
▸ GRM2 Q14416 1/20 0.34
▸ PIK3CD O00329 6/20 0.33
▸ PIK3CG P48736 5/20 0.33
▸ ABL1 P00519 4/20 0.33
▸ EGFR P00533 4/20 0.33
▸ HCK P08631 4/20 0.33
▸ SRC P12931 4/20 0.33
▸ KDR P35968 4/20 0.33
▸ PIK3CA P42336 4/20 0.33
▸ PIK3CB P42338 4/20 0.33
▸ MTOR P42345 4/20 0.33
▸ EPHB4 P54760 4/20 0.33
▸ PRKDC P78527 4/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ PI4KB Q9UBF8 2/20 0.32
▸ TRPV4 Q9HBA0 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32

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
SCHEMBL1813047 1.00 AR (0.55) AREGLN2GRM2PIK3CDPIK3CG
SCHEMBL1816456 1.00 AR (0.55) AREGLN2GRM2PIK3CDPIK3CG
SCHEMBL1813787 0.93 AR (0.49) AREGLN2GRM2PIK3CDPIK3CG
SCHEMBL13734792 0.93 AR (0.49) AREGLN2GRM2PIK3CDPIK3CG
SCHEMBL1813786 0.93 AR (0.49) AREGLN2GRM2PIK3CDPIK3CG
SCHEMBL1815432 0.77 AR (0.52) AREGLN2
SCHEMBL1815435 0.77 AR (0.52) AREGLN2
SCHEMBL1818302 0.77 AR (0.52) AREGLN2
SCHEMBL15729287 0.76 KMT2A (0.46) AREGLN2PIK3CDPIK3CGPIK3CA
SCHEMBL1814475 0.76 AR (0.44) AREGLN2TRPV4NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3885340-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2024-11-27 — — EP disclosed
EP-3885340-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2021-09-29 — — EP disclosed
US-11046713-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2021-06-29 — — US disclosed
EP-3369732-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2021-05-26 — — EP disclosed
US-20200299307-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2020-09-24 — — US disclosed
US-10711013-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2020-07-14 — — US disclosed
US-20190100536-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2019-04-04 — — US disclosed
US-10118933-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2018-11-06 — — US disclosed
EP-3369732-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2018-09-05 — — EP disclosed
EP-3056485-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2018-05-09 — — EP disclosed
US-20170260206-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2017-09-14 — — US disclosed
US-9657003-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2017-05-23 — — US disclosed
EP-3056485-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS Orion Corporation (FI) 2016-08-17 — — EP disclosed
US-20150203479-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION 2015-07-23 — — US disclosed
US-8975254-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2015-03-10 — — US disclosed
EP-2493858-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2014-07-02 — — EP disclosed
US-20120225867-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2012-09-06 — — US disclosed
EP-2493858-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS Orion Corporation (FI) 2012-09-05 — — EP disclosed
WO-2011051540-A9 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2012-06-21 — — WO disclosed
WO-2011051540-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2011-05-05 — — 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-20170260206-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG AR 1/4885EGLN2 2169/4885GRM2 403/4885
US-10118933-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG AR 1/4885EGLN2 2169/4885GRM2 403/4885
US-10711013-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG AR 1/4885EGLN2 2169/4885GRM2 403/4885
US-20200299307-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG AR 1/4885EGLN2 2169/4885GRM2 403/4885
US-20190100536-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG AR 1/4885EGLN2 2169/4885GRM2 403/4885
US-11046713-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG AR 1/4885EGLN2 2169/4885GRM2 403/4885
US-20150203479-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG AR 1/4885EGLN2 2169/4885GRM2 403/4885
US-20120225867-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG AR 1/4885EGLN2 2169/4885GRM2 403/4885

“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.