SCHEMBL17783237

SCHEMBL17783237

COc1cc2c(cc1OC(C)C)-c1c(c(C(=O)NCC(C)(C)C)nn1-c1ccsc1)CO2

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ CCNA2 P20248 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CCNA1 P78396 2/20 0.32
▸ RAD52 P43351 1/20 0.32
▸ HCRTR1 O43613 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ TP53 P04637 3/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ LMNA P02545 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
SCHEMBL16334004 0.90 CNR2 (0.33) KMT2AMAPTCCNA2CDK2CCNA1
SCHEMBL17783251 0.90 RORC (0.31) MAPTCCNA2CDK2CCNA1RAD52
SCHEMBL17783200 0.89 CCNA2 (0.31) MAPTCCNA2CDK2CCNA1RAD52
SCHEMBL17783250 0.89 RAD52 (0.32) CCNA2CDK2CCNA1RAD52
SCHEMBL16377972 0.89 RAD52 (0.33) KMT2AMAPTCCNA2CDK2CCNA1
SCHEMBL17783206 0.89 CCNC (0.32) MAPTRAD52TP53
SCHEMBL17783235 0.88 KCNJ1 (0.32) MAPTCCNA2CDK2CCNA1RAD52
SCHEMBL16339229 0.87 CCNA2 (0.31) CCNA2CDK2CCNA1RAD52
SCHEMBL16377700 0.87 CCNA2 (0.37) MAPTCCNA2CDK2CCNA1ALDH1A1
SCHEMBL17783210 0.87 CCNA2 (0.33) MAPTCCNA2CDK2CCNA1RAD52

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 KMT2A 2435/4885MAPT 4321/4885CCNA2 4041/4885
US-10081637-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR KMT2A 2435/4885MAPT 4321/4885CCNA2 4041/4885
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR KMT2A 2435/4885MAPT 4321/4885CCNA2 4041/4885
US-20180354965-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR KMT2A 2435/4885MAPT 4321/4885CCNA2 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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