SCHEMBL16334004

SCHEMBL16334004

COc1cc2c(cc1Br)-c1c(c(C(=O)NCC(C)(C)C)nn1-c1ccsc1)CO2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.33
▸ CNR1 P21554 3/20 0.33
▸ CCNA2 P20248 3/20 0.33
▸ CDK2 P24941 3/20 0.33
▸ CCNA1 P78396 3/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ TP53 P04637 3/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 3/20 0.31
▸ KMT2A Q03164 1/20 0.30
▸ NR1H4 Q96RI1 2/20 0.30
▸ LMNA P02545 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
SCHEMBL17783237 0.90 KMT2A (0.32) CCNA2CDK2CCNA1RAD52TP53
SCHEMBL17783235 0.90 KCNJ1 (0.32) CCNA2CDK2CCNA1RAD52POLB
SCHEMBL22607642 0.90 CCNA2 (0.31) CCNA2CDK2CCNA1RAD52
SCHEMBL17783210 0.89 CCNA2 (0.33) CCNA2CDK2CCNA1RAD52MAPT
SCHEMBL22607652 0.89 ROCK2 (0.32) CCNA2CDK2CCNA1RAD52TP53
SCHEMBL17783251 0.89 RORC (0.31) CCNA2CDK2CCNA1RAD52MAPT
SCHEMBL22607665 0.88 CCNA2 (0.31) CCNA2CDK2CCNA1RAD52
SCHEMBL22607643 0.88 CCNA2 (0.32) CCNA2CDK2CCNA1RAD52MAPT
SCHEMBL16339229 0.88 CCNA2 (0.31) CCNA2CDK2CCNA1RAD52
SCHEMBL22607650 0.88 CCNA2 (0.31) CCNA2CDK2CCNA1RAD52

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 7 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
EP-3013832-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF Merck Patent GmbH (DE) 2016-05-04 — — EP 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 (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 CNR2 1048/4885CNR1 630/4885CCNA2 4041/4885
US-10081637-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR CNR2 1048/4885CNR1 630/4885CCNA2 4041/4885
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR CNR2 1048/4885CNR1 630/4885CCNA2 4041/4885
US-20180354965-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR CNR2 1048/4885CNR1 630/4885CCNA2 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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