SCHEMBL19321663

SCHEMBL19321663

[2H]C([2H])([2H])Oc1cc(Cl)cc(-n2nc(C(=O)N(C)C(C)(C)C)c3c2-c2cc(-c4cncc(C(N)=O)c4)c(OC([2H])([2H])[2H])cc2OC3)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 3/20 0.34
▸ CCNA2 P20248 3/20 0.31
▸ CDK2 P24941 3/20 0.31
▸ CCNA1 P78396 3/20 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
SCHEMBL17381637 0.94 NR1H4 (0.35) NR1H4CCNA2CDK2CCNA1
SCHEMBL19321678 0.91 NR1H4 (0.35) NR1H4CCNA2CDK2CCNA1
SCHEMBL17381648 0.90 CCNA2 (0.35) NR1H4CCNA2CDK2CCNA1
SCHEMBL19321662 0.89 NR1H4 (0.33) NR1H4
SCHEMBL17382238 0.89 NR1H4 (0.34) NR1H4
SCHEMBL19326304 0.88 NR1H4 (0.34) NR1H4
SCHEMBL30681687 0.88 NR1H4 (0.34) NR1H4CCNA2CDK2CCNA1
SCHEMBL20731110 0.88 NR1H4 (0.34) NR1H4CCNA2CDK2CCNA1
SCHEMBL19321677 0.87 CCNA2 (0.34) NR1H4CCNA2CDK2CCNA1
SCHEMBL17382066 0.86 CCNA2 (0.35) NR1H4CCNA2CDK2CCNA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253605-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX, INC. (US) 2017-09-07 — — 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 (1 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-20170253605-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR NR1H4 760/4885CCNA2 4240/4885CDK2 637/4885

“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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