SCHEMBL20580158

SCHEMBL20580158

COc1cc2c(cc1C=C(C)C)-c1c(c(C(=O)N3CCCCCC3)nn1-c1ccsc1)CO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 10/20 0.37
▸ PIK3R2 O00459 10/20 0.37
▸ PIK3CA P42336 10/20 0.37
▸ PIK3CB P42338 10/20 0.37
▸ PIK3CG P48736 10/20 0.37
▸ PIK3R5 Q8WYR1 10/20 0.37
▸ PIK3R3 Q92569 10/20 0.37
▸ UGCG Q16739 3/20 0.36
▸ NPC1 O15118 6/20 0.35
▸ RAB9A P51151 6/20 0.35
▸ HPGD P15428 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL16377780 0.93 PIK3CD (0.45) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16339426 0.92 PIK3CD (0.34) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL22626296 0.92 PIK3CD (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377693 0.91 PIK3CD (0.35) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377691 0.91 PIK3CD (0.37) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377953 0.91 ALDH1A1 (0.34) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL20579991 0.91 UGCG (0.34) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377694 0.91 UGCG (0.34) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377696 0.91 UGCG (0.34) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377690 0.91 PIK3CD (0.33) 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 3 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
US-20180354965-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2018-12-13 — — 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 (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 PIK3CD 927/4885PIK3R2 274/4885PIK3CA 1255/4885
US-20180354965-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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