SCHEMBL20988749

SCHEMBL20988749

COc1cc2c(cc1-c1cncc(C#N)c1)-c1c(c(C(=O)N3CCOCC3(C)C)nn1-c1cc(F)cc(Cl)c1)CC2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.35
▸ CYP11B2 P19099 2/20 0.32
▸ IKBKB O14920 4/20 0.32
▸ PIK3CD O00329 2/20 0.31
▸ PIK3R2 O00459 2/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ PIK3CB P42338 2/20 0.31
▸ PIK3CG P48736 2/20 0.31
▸ PIK3R5 Q8WYR1 2/20 0.31
▸ PIK3R3 Q92569 2/20 0.31
▸ CYP11B1 P15538 1/20 0.30
▸ ABL1 P00519 1/20 0.30

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
SCHEMBL27119422 0.95 GRM5 (0.37) GRM5CYP11B2IKBKBPIK3CDPIK3R2
SCHEMBL30759686 0.95 GRM5 (0.37) GRM5CYP11B2IKBKBPIK3CDPIK3R2
SCHEMBL30759535 0.91 GRM5 (0.38) GRM5CYP11B2PIK3CDPIK3R2PIK3CA
SCHEMBL27118811 0.91 GRM5 (0.38) GRM5CYP11B2PIK3CDPIK3R2PIK3CA
SCHEMBL17381612 0.90 GRM5 (0.34) GRM5PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL31236965 0.86 GRM5 (0.36) GRM5CYP11B2PIK3CDPIK3R2PIK3CA
SCHEMBL27152593 0.86 GRM5 (0.37) GRM5CYP11B2CYP11B1ABL1
SCHEMBL27123503 0.86 IKBKB (0.37) GRM5IKBKBPIK3CDPIK3R2PIK3CA
SCHEMBL31758931 0.86 GRM5 (0.37) GRM5CYP11B2CYP11B1ABL1
SCHEMBL17381581 0.85 GRM5 (0.36) GRM5PIK3CDPIK3R2PIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20190135823-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR GRM5 301/4885CYP11B2 142/4885IKBKB 2936/4885
US-20220402929-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR GRM5 301/4885CYP11B2 142/4885IKBKB 2936/4885
US-10941152-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR GRM5 301/4885CYP11B2 142/4885IKBKB 2936/4885

“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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