SCHEMBL29670724

SCHEMBL29670724

COc1cc2c(cc1CC(C)C)-c1c(c(C(=O)N3CCCNCC3)nn1-c1ccsc1)CO2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 4/20 0.44
▸ PIK3CD O00329 10/20 0.34
▸ PIK3R2 O00459 10/20 0.34
▸ PIK3CA P42336 10/20 0.34
▸ PIK3CB P42338 10/20 0.34
▸ PIK3CG P48736 10/20 0.34
▸ PIK3R5 Q8WYR1 10/20 0.34
▸ PIK3R3 Q92569 10/20 0.34
▸ REN P00797 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ OXTR P30559 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ AVPR1B P47901 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
SCHEMBL16339415 1.00 UGCG (0.44) UGCGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL16340010 0.88 UGCG (0.30) UGCG
SCHEMBL16340259 0.87 SCD5 (0.35) UGCGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL16339523 0.86 ALDH1A1 (0.36) UGCGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL16377975 0.85 CCNA2 (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377935 0.82 CCNA2 (0.40) —
SCHEMBL29670722 0.82 — —
SCHEMBL17381959 0.81 — —
SCHEMBL17789666 0.81 PIK3CD (0.33) UGCGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL30681663 0.81 — —

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 UGCG 4222/4885PIK3CD 927/4885PIK3R2 274/4885

“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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