SCHEMBL16377953

SCHEMBL16377953

COc1cc2c(cc1C=C(C)C)-c1c(c(C(=O)N3CCCC(C(N)=O)CC3)nn1-c1ccsc1)CO2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.34
▸ PKM P14618 1/20 0.34
▸ PIK3CD O00329 6/20 0.33
▸ PIK3R2 O00459 6/20 0.33
▸ PIK3CA P42336 6/20 0.33
▸ PIK3CB P42338 6/20 0.33
▸ PIK3CG P48736 6/20 0.33
▸ PIK3R5 Q8WYR1 6/20 0.33
▸ PIK3R3 Q92569 6/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ UGCG Q16739 2/20 0.33
▸ HPGD P15428 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ PLA2G1B P04054 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
SCHEMBL16377693 0.94 PIK3CD (0.35) ALDH1A1PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL16377696 0.93 UGCG (0.34) ALDH1A1PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL20579991 0.93 UGCG (0.34) ALDH1A1PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL16377694 0.93 UGCG (0.34) ALDH1A1PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL16377690 0.93 PIK3CD (0.33) ALDH1A1PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL16378003 0.92 PIK3CD (0.33) ALDH1A1PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL16377793 0.92 PIK3CD (0.33) ALDH1A1PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL16339426 0.92 PIK3CD (0.34) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377691 0.91 PIK3CD (0.37) ALDH1A1PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL20580158 0.91 PIK3CD (0.37) ALDH1A1PIK3CDPIK3R2PIK3CAPIK3CB

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
US-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof MERCK PATENT GMBH (DE) 2022-06-21 — — US disclosed
US-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof MERCK PATENT GMBH (DE) 2022-06-21 — — US disclosed
EP-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 — — EP disclosed
EP-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 — — EP disclosed
US-20180354965-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2018-12-13 — — US disclosed
US-10081637-B2 Pyrazole compounds as modulators of FSHR and uses thereof MERCK PATENT GMBH (DE) 2018-09-25 — — US disclosed
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-02 — — US disclosed
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-02 — — US disclosed
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-02 — — US disclosed
WO-2014209980-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2014-12-31 — — 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 (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-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR ALDH1A1 4610/4885PKM 1140/4885PIK3CD 927/4885
US-10081637-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR ALDH1A1 4610/4885PKM 1140/4885PIK3CD 927/4885
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR ALDH1A1 4610/4885PKM 1140/4885PIK3CD 927/4885
US-20180354965-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR ALDH1A1 4610/4885PKM 1140/4885PIK3CD 927/4885

“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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