SCHEMBL16377701

SCHEMBL16377701

COC(=O)C1CCCN(C(=O)c2nn(-c3ccsc3)c3c2COc2cc(OC)c(OC(C)C)cc2-3)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ 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
▸ UGCG Q16739 2/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ S1PR1 P21453 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 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
SCHEMBL17783259 0.94 KMT2A (0.36) MEN1KMT2APKMPIK3CDPIK3R2
SCHEMBL16377940 0.93 MEN1 (0.35) MEN1KMT2APKMPIK3CDPIK3R2
SCHEMBL16377690 0.88 PIK3CD (0.33) KMT2APIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL16377700 0.83 CCNA2 (0.37) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377835 0.81 MTNR1A (0.34) KMT2AALDH1A1CYP3A4POLB
SCHEMBL16377693 0.81 PIK3CD (0.35) MEN1KMT2APIK3CDPIK3R2PIK3CA
SCHEMBL16377793 0.81 PIK3CD (0.33) MEN1KMT2APIK3CDPIK3R2PIK3CA
SCHEMBL16377953 0.81 ALDH1A1 (0.34) MEN1KMT2APKMPIK3CDPIK3R2
SCHEMBL20579991 0.81 UGCG (0.34) MEN1KMT2APIK3CDPIK3R2PIK3CA
SCHEMBL16377694 0.81 UGCG (0.34) MEN1KMT2APIK3CDPIK3R2PIK3CA

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 6 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
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-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 (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-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR MEN1 2298/4885KMT2A 2435/4885PKM 1140/4885
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR MEN1 2298/4885KMT2A 2435/4885PKM 1140/4885

“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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