SCHEMBL17381644

SCHEMBL17381644

COc1cc(OC)cc(-n2nc(C(=O)N3CCOCC3(C)C)c3c2-c2cc(-c4cncc(C(N)=O)c4)c(OC)cc2OC3)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 6/20 0.35
▸ PIK3R2 O00459 6/20 0.35
▸ PIK3CA P42336 6/20 0.35
▸ PIK3CB P42338 6/20 0.35
▸ PIK3CG P48736 6/20 0.35
▸ PIK3R5 Q8WYR1 6/20 0.35
▸ PIK3R3 Q92569 6/20 0.35
▸ UGCG Q16739 5/20 0.34
▸ CCNA2 P20248 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ CCNA1 P78396 2/20 0.33
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ F10 P00742 2/20 0.32
▸ GABRA5 P31644 1/20 0.31
▸ ACVR1 Q04771 1/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.31
▸ MKNK2 Q9HBH9 1/20 0.31

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
SCHEMBL17382140 0.96 PIK3CD (0.33) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL30681670 0.93 GRM5 (0.33) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL17382050 0.93 GRM5 (0.33) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL17381587 0.93 GRM5 (0.32) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL17382274 0.91 PIK3CD (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL20731124 0.90 GRM5 (0.32) —
SCHEMBL30681691 0.90 GRM5 (0.32) —
SCHEMBL17382243 0.89 PIK3CD (0.35) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL31236958 0.88 GRM5 (0.33) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL17381989 0.87 GRM5 (0.34) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3157929-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF ARES TRADING SA (CH) 2023-12-13 — — EP disclosed
EP-3157929-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF ARES TRADING SA (CH) 2023-12-13 — — EP disclosed
US-20220402929-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX INC (US) 2022-12-22 — — US disclosed
US-10941152-B2 Pyrazole compounds as modulators of FSHR and uses thereof ARES TRADING S.A. (CH) 2021-03-09 — — US disclosed
US-20190135823-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX, INC. 2019-05-09 — — US disclosed
US-10208055-B2 Pyrazole compounds as modulators of FSHR and uses thereof TOCOPHERX, INC. (US) 2019-02-19 — — US disclosed
US-10208055-B2 Pyrazole compounds as modulators of FSHR and uses thereof TOCOPHERX, INC. (US) 2019-02-19 — — US disclosed
US-20170253605-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX, INC. (US) 2017-09-07 — — US disclosed
US-20170253605-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX, INC. (US) 2017-09-07 — — US disclosed
WO-2015196759-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX, INC. (US) 2015-12-30 — — 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 (5 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-10208055-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR PIK3CD 799/4885PIK3R2 353/4885PIK3CA 1087/4885
US-20170253605-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR PIK3CD 799/4885PIK3R2 353/4885PIK3CA 1087/4885
US-20190135823-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR PIK3CD 927/4885PIK3R2 274/4885PIK3CA 1255/4885
US-20220402929-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR PIK3CD 927/4885PIK3R2 274/4885PIK3CA 1255/4885
US-10941152-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR PIK3CD 927/4885PIK3R2 274/4885PIK3CA 1255/4885

“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.

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