SCHEMBL16377983

SCHEMBL16377983

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.34
▸ NR1H4 Q96RI1 12/20 0.34
▸ CCNA2 P20248 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CCNA1 P78396 2/20 0.32
▸ MAPT P10636 2/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ RORC P51449 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
SCHEMBL16377945 0.97 RAD52 (0.35) RAD52NR1H4CCNA2CDK2CCNA1
SCHEMBL17783251 0.88 RORC (0.31) RAD52CCNA2CDK2CCNA1MAPT
SCHEMBL16377938 0.87 RAD52 (0.35) RAD52NR1H4CCNA2CDK2CCNA1
SCHEMBL16377975 0.86 CCNA2 (0.36) CCNA2CDK2CCNA1PDE4D
SCHEMBL16377952 0.86 CCR5 (0.34) RAD52MAPTTP53
SCHEMBL22626614 0.86 ACKR3 (0.32) RAD52MAPTTP53RORC
SCHEMBL16377946 0.85 CNR2 (0.36) CCNA2CDK2CCNA1PDE4D
SCHEMBL16377698 0.84 CCNA2 (0.30) CCNA2CDK2CCNA1
SCHEMBL16377775 0.84 RAD52 (0.36) RAD52NR1H4CCNA2CDK2CCNA1
SCHEMBL16377699 0.84 TP53 (0.30) CCNA2CDK2CCNA1TP53

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 5 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
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 RAD52 4685/4885NR1H4 857/4885CCNA2 4041/4885
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR RAD52 4685/4885NR1H4 857/4885CCNA2 4041/4885

“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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