SCHEMBL16377803

SCHEMBL16377803

COc1cc2c(cc1-c1ccnn1C)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1ccsc1)CO2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ PDE7A Q13946 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ NR1H4 Q96RI1 3/20 0.31
▸ USP30 Q70CQ3 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
SCHEMBL17783225 0.89 CCNA2 (0.37) HTR2AHTR2CPDE10ANR1H4USP30
SCHEMBL29670825 0.89 CCNA2 (0.37) HTR2AHTR2CPDE10ANR1H4USP30
SCHEMBL16377987 0.88 PDE7A (0.32) PDE7APDE3APDE10ANR1H4
SCHEMBL16377992 0.88 PDE7A (0.32) PDE7APDE3APDE10A
SCHEMBL19321666 0.88 PDE7A (0.32) PDE7APDE3APDE10ANR1H4
SCHEMBL16377706 0.88 PDE7A (0.31) PDE7APDE3APDE10A
SCHEMBL17789664 0.88 NR1H4 (0.32) PDE7APDE3APDE10ANR1H4
SCHEMBL17382136 0.88 — —
SCHEMBL17789673 0.88 PDE7A (0.31) PDE7APDE3APDE10A
SCHEMBL16377801 0.88 AAK1 (0.34) PDE7APDE3APDE10ANR1H4USP30

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 HTR2A 1695/4885HTR2C 1211/4885PDE7A 195/4885
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR HTR2A 1695/4885HTR2C 1211/4885PDE7A 195/4885

“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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