SCHEMBL16377823

SCHEMBL16377823

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ NR3C2 P08235 2/20 0.36
▸ AR P10275 1/20 0.33
▸ F11 P03951 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3R2 O00459 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ PIK3R5 Q8WYR1 1/20 0.32
▸ PIK3R3 Q92569 1/20 0.32
▸ NOTUM Q6P988 1/20 0.31
▸ KCNJ1 P48048 3/20 0.31
▸ KCNH2 Q12809 3/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TGFBR1 P36897 1/20 0.30
▸ ACVR1 Q04771 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
SCHEMBL16377799 0.89 CCNA2 (0.41) CCNA2CDK2CCNA1ARPIK3CD
SCHEMBL16333638 0.88 CCNA2 (0.39) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL16377735 0.88 PDE7A (0.31) NR3C2AR
SCHEMBL29538892 0.88 PDE7A (0.31) NR3C2AR
SCHEMBL17783235 0.86 KCNJ1 (0.32) CCNA2CDK2CCNA1ARKCNJ1
SCHEMBL16333930 0.86 CCNA2 (0.37) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL16377700 0.85 CCNA2 (0.37) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL16333609 0.85 CCNA2 (0.39) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL16339733 0.84 CCNA2 (0.36) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL29670696 0.84 CCNA2 (0.36) CCNA2CDK2CCNA1PIK3CDPIK3R2

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 10 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
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-20180354965-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2018-12-13 — — US 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 (4 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 CCNA2 4041/4885CDK2 602/4885CCNA1 3826/4885
US-10081637-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR CCNA2 4041/4885CDK2 602/4885CCNA1 3826/4885
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR CCNA2 4041/4885CDK2 602/4885CCNA1 3826/4885
US-20180354965-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR CCNA2 4041/4885CDK2 602/4885CCNA1 3826/4885

“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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