SCHEMBL16377845

SCHEMBL16377845

CCOC(=O)c1nn(-c2nccs2)c2c1COc1cc(OC)c(Br)cc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ CCNA1 P78396 2/20 0.38
▸ ALDH1A1 P00352 6/20 0.36
▸ TP53 P04637 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ PPARG P37231 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KCNK3 O14649 1/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ PKM P14618 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
SCHEMBL22607630 0.89 KMT2A (0.35) CCNA2CDK2CCNA1ALDH1A1POLB
SCHEMBL16340134 0.88 CCNA2 (0.37) CCNA2CDK2CCNA1ALDH1A1TP53
SCHEMBL16377789 0.85 TP53 (0.40) CCNA2CDK2CCNA1ALDH1A1TP53
SCHEMBL16377773 0.83 CCNA2 (0.43) CCNA2CDK2CCNA1ALDH1A1TP53
SCHEMBL17385442 0.82 CCNA2 (0.49) CCNA2CDK2CCNA1ALDH1A1TP53
SCHEMBL29538955 0.82 CCNA2 (0.43) CCNA2CDK2CCNA1ALDH1A1TP53
SCHEMBL17381607 0.82 CCNA2 (0.43) CCNA2CDK2CCNA1ALDH1A1TP53
SCHEMBL30885867 0.82 CCNA2 (0.43) CCNA2CDK2CCNA1ALDH1A1TP53
SCHEMBL17385323 0.80 ALDH1A1 (0.51) CCNA2CDK2CCNA1ALDH1A1TP53
SCHEMBL22626533 0.76 ALDH1A1 (0.36) CCNA2CDK2CCNA1ALDH1A1TP53

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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