SCHEMBL16340259

SCHEMBL16340259

COc1cc2c(cc1CC(C)C)-c1c(c(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)nn1-c1ccsc1)CO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD5 Q86SK9 1/20 0.35
▸ UGCG Q16739 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PIK3CD O00329 5/20 0.33
▸ PIK3R2 O00459 5/20 0.33
▸ PIK3CA P42336 5/20 0.33
▸ PIK3CB P42338 5/20 0.33
▸ PIK3CG P48736 5/20 0.33
▸ PIK3R5 Q8WYR1 5/20 0.33
▸ PIK3R3 Q92569 5/20 0.33
▸ SUV39H2 Q9H5I1 2/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE11A Q9HCR9 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ C5AR1 P21730 1/20 0.32
▸ CFTR P13569 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL29670724 0.87 UGCG (0.44) UGCGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL16339523 0.87 ALDH1A1 (0.36) UGCGMEN1KMT2APIK3CDPIK3R2
SCHEMBL29670722 0.83 — —
SCHEMBL16377960 0.82 PDE7A (0.31) PDE10A
SCHEMBL17381959 0.81 — —
SCHEMBL30681663 0.81 — —
SCHEMBL22626410 0.78 NR1H4 (0.31) —
SCHEMBL22626411 0.78 — —
SCHEMBL22626244 0.78 NR1H4 (0.31) —
SCHEMBL17789669 0.77 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3013832-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF Merck Patent GmbH (DE) 2016-05-04 — — EP 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-10081637-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR SCD5 3262/4885UGCG 4222/4885MEN1 2298/4885
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR SCD5 3262/4885UGCG 4222/4885MEN1 2298/4885

“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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