SCHEMBL16377731

SCHEMBL16377731

CCOC(=O)c1nn(-c2cccs2)c2c1COc1cc(OC)c(C=C(C)C)cc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 3/20 0.39
▸ CDK2 P24941 3/20 0.39
▸ CCNA1 P78396 3/20 0.39
▸ KCNK3 O14649 1/20 0.37
▸ TP53 P04637 4/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ MAPT P10636 4/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ NFKB1 P19838 1/20 0.32

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
SCHEMBL16377973 0.90 CCNA2 (0.35) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL16377789 0.88 TP53 (0.40) CCNA2CDK2CCNA1KCNK3TP53
SCHEMBL16339912 0.87 CCNA2 (0.42) CCNA2CDK2CCNA1TP53POLB
SCHEMBL16340134 0.86 CCNA2 (0.37) CCNA2CDK2CCNA1KCNK3TP53
SCHEMBL17783239 0.85 KMT2A (0.32) TP53POLBALDH1A1KDM4EKMT2A
SCHEMBL16378002 0.85 NR1H4 (0.32) ALDH1A1KDM4EKMT2AMAPTNPC1
SCHEMBL16377990 0.84 KCNK3 (0.39) CCNA2CDK2CCNA1KCNK3TP53
SCHEMBL22626591 0.78 CCNA2 (0.34) CCNA2CDK2CCNA1PIK3CDPIK3CA
SCHEMBL22626388 0.78 TP53 (0.32) CCNA2CDK2CCNA1TP53POLB
SCHEMBL22607636 0.77 CCNA2 (0.35) CCNA2CDK2CCNA1ALDH1A1KDM4E

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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