SCHEMBL16377972

SCHEMBL16377972

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

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.33
▸ MAPT P10636 4/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ ACKR3 P25106 1/20 0.31
▸ ABCB1 P08183 1/20 0.30
▸ LRRK2 Q5S007 1/20 0.30
▸ CNR1 P21554 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
SCHEMBL16377838 0.90 CNR1 (0.36) RAD52MAPTTP53KMT2ACNR1
SCHEMBL17783206 0.90 CCNC (0.32) RAD52MAPTTP53
SCHEMBL17783237 0.89 KMT2A (0.32) RAD52MAPTTP53ALDH1A1CCNA2
SCHEMBL16377835 0.88 MTNR1A (0.34) RAD52MAPTTP53ALDH1A1KMT2A
SCHEMBL29670686 0.87 RAD52 (0.35) RAD52MAPTTP53ALDH1A1XBP1
SCHEMBL16377700 0.85 CCNA2 (0.37) MAPTTP53ALDH1A1CCNA2CDK2
SCHEMBL16377697 0.83 CCNA2 (0.41) MAPTTP53ALDH1A1CCNA2CDK2
SCHEMBL16377983 0.82 RAD52 (0.34) RAD52MAPTTP53CCNA2CDK2
SCHEMBL16377939 0.81 PDE7A (0.35) —
SCHEMBL29539105 0.81 PDE7A (0.35) —

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 6 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
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 4685/4885MAPT 4321/4885TP53 2390/4885
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR RAD52 4685/4885MAPT 4321/4885TP53 2390/4885

“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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