SCHEMBL16377831

SCHEMBL16377831

COc1cc2c(cc1-c1ccn(C)n1)-c1c(c(C(=O)N3CCOCC3C)nn1-c1ccsc1)CO2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 15/20 0.45
▸ PIK3R2 O00459 15/20 0.45
▸ PIK3CA P42336 15/20 0.45
▸ PIK3CB P42338 15/20 0.45
▸ PIK3CG P48736 15/20 0.45
▸ PIK3R5 Q8WYR1 15/20 0.45
▸ PIK3R3 Q92569 15/20 0.45
▸ LRRK2 Q5S007 2/20 0.31
▸ UGCG Q16739 2/20 0.31
▸ MKNK1 Q9BUB5 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
SCHEMBL16377827 0.90 PIK3CD (0.35) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377822 0.85 PIK3CD (0.34) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377985 0.85 PIK3CD (0.34) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL29670696 0.85 CCNA2 (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16339733 0.85 CCNA2 (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377782 0.85 CCNA2 (0.33) —
SCHEMBL24519352 0.85 PIK3CD (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL19326993 0.84 MAPT (0.34) —
SCHEMBL17789730 0.83 FGFR3 (0.33) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377995 0.83 CACNA2D1 (0.30) —

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 8 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-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 (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-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR PIK3CD 927/4885PIK3R2 274/4885PIK3CA 1255/4885
US-10081637-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR PIK3CD 927/4885PIK3R2 274/4885PIK3CA 1255/4885
US-20160152626-A1 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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