SCHEMBL17783208

SCHEMBL17783208

COc1cc2c(cc1C=C(C)C)-c1c(c(C(=O)NCCCNC(=O)OC(C)(C)C)nn1-c1ccsc1)CO2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.33
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ DRD2 P14416 5/20 0.32
▸ TP53 P04637 1/20 0.32
▸ BRD4 O60885 5/20 0.31
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CCNA1 P78396 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
SCHEMBL17783206 0.88 CCNC (0.32) RAD52CCNCCDK8DRD2TP53
SCHEMBL16377725 0.85 CNR2 (0.37) CCNA2CDK2CCNA1
SCHEMBL17789660 0.82 CCNA2 (0.31) CCNA2CDK2CCNA1
SCHEMBL16377974 0.79 — —
SCHEMBL16377972 0.77 RAD52 (0.33) RAD52TP53CCNA2CDK2CCNA1
SCHEMBL16377778 0.77 PIK3CD (0.34) —
SCHEMBL16377945 0.76 RAD52 (0.35) RAD52TP53CCNA2CDK2CCNA1
SCHEMBL16377776 0.76 PIK3CD (0.34) —
SCHEMBL17783237 0.76 KMT2A (0.32) RAD52TP53CCNA2CDK2CCNA1
SCHEMBL17783251 0.75 RORC (0.31) RAD52CCNA2CDK2CCNA1

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-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

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 RAD52 4685/4885CCNC 3827/4885CDK8 677/4885
US-10081637-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR RAD52 4685/4885CCNC 3827/4885CDK8 677/4885
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR RAD52 4685/4885CCNC 3827/4885CDK8 677/4885
US-20180354965-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR RAD52 4685/4885CCNC 3827/4885CDK8 677/4885

“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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