SCHEMBL16377712

SCHEMBL16377712

COc1cc2c(cc1-c1ccnn1C)-c1c(c(C(=O)NC3(CO)COC3)nn1-c1ccsc1)CO2

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HTR2A P28223 5/20 0.32
▸ HTR2C P28335 4/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CCNA1 P78396 1/20 0.31
▸ MAPT P10636 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
SCHEMBL16377707 0.93 HTR2A (0.32) TP53POLBHTR2AHTR2CUSP30
SCHEMBL16377988 0.89 IRAK1 (0.32) TP53POLBCCNA2CDK2CCNA1
SCHEMBL16378001 0.88 TP53 (0.32) TP53POLBMAPT
SCHEMBL22607647 0.87 USP30 (0.33) TP53POLBHTR2AHTR2CUSP30
SCHEMBL29670825 0.85 CCNA2 (0.37) HTR2AHTR2CUSP30CCNA2CDK2
SCHEMBL17783225 0.85 CCNA2 (0.37) HTR2AHTR2CUSP30CCNA2CDK2
SCHEMBL16377699 0.85 TP53 (0.30) TP53POLBCCNA2CDK2CCNA1
SCHEMBL16377709 0.84 USP30 (0.31) USP30
SCHEMBL16377839 0.84 INSR (0.30) —
SCHEMBL16377825 0.83 TP53 (0.33) TP53POLB

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 TP53 2390/4885POLB 4261/4885HTR2A 1695/4885
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR TP53 2390/4885POLB 4261/4885HTR2A 1695/4885

“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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