SCHEMBL17789696

SCHEMBL17789696

COc1cc2c(cc1-c1ccn(C)c1)-c1c(c(C(=O)N[C@H]3CC[C@@H](O)C3)nn1-c1ccsc1)CO2

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ ROCK2 O75116 2/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ IGF1R P08069 1/20 0.30
▸ TRPV1 Q8NER1 1/20 0.30
▸ TTK P33981 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
SCHEMBL17789739 1.00 KMT2A (0.32) KMT2AMAPTROCK2PDE4BIGF1R
SCHEMBL16377788 0.95 MAPT (0.32) MAPTIGF1R
SCHEMBL17789738 0.90 KMT2A (0.31) KMT2AMAPTTRPV1TTK
SCHEMBL22626622 0.90 KMT2A (0.31) KMT2AMAPTTRPV1TTK
SCHEMBL17789695 0.90 KMT2A (0.31) KMT2AMAPTTRPV1TTK
SCHEMBL16377840 0.90 HPGDS (0.33) KMT2AMAPTPDE4BIGF1RTTK
SCHEMBL16377996 0.88 CCNA2 (0.32) MAPTROCK2PDE4BTRPV1TTK
SCHEMBL22626463 0.87 — —
SCHEMBL16339421 0.85 CCNA2 (0.35) MAPT
SCHEMBL16377828 0.85 CCNA2 (0.32) MAPT

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 4 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

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 KMT2A 2435/4885MAPT 4321/4885ROCK2 4170/4885
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR KMT2A 2435/4885MAPT 4321/4885ROCK2 4170/4885

“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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