SCHEMBL17783239

SCHEMBL17783239

COc1cc2c(cc1C=C(C)C)-c1c(c(C(=O)NCC(C)(C)C)nn1-c1cccs1)CO2

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 4/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ ADRA2A P08913 2/20 0.32
▸ ADRA2C P18825 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ NR1H4 Q96RI1 6/20 0.31
▸ RAD52 P43351 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ TP53 P04637 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
SCHEMBL17783210 0.87 CCNA2 (0.33) MAPTADRA2AADRA2CSLC6A4RAD52
SCHEMBL16377973 0.87 CCNA2 (0.35) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL17783217 0.87 ADORA2A (0.31) —
SCHEMBL17783261 0.85 RORC (0.31) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL16378002 0.85 NR1H4 (0.32) KMT2AMAPTALDH1A1KDM4ENPC1
SCHEMBL16377731 0.85 CCNA2 (0.39) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL16377775 0.78 RAD52 (0.36) MAPTNR1H4RAD52TP53
SCHEMBL16377982 0.78 RAD52 (0.37) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL22607661 0.77 CCNA2 (0.31) RAD52
SCHEMBL16377725 0.77 CNR2 (0.37) ADRA2AADRA2CSLC6A4

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 2435/4885MEN1 2298/4885MAPT 4321/4885
US-10081637-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR KMT2A 2435/4885MEN1 2298/4885MAPT 4321/4885
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR KMT2A 2435/4885MEN1 2298/4885MAPT 4321/4885
US-20180354965-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR KMT2A 2435/4885MEN1 2298/4885MAPT 4321/4885

“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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