SCHEMBL19321677

SCHEMBL19321677

COc1cc(C)cc(-n2nc(C(=O)N(C)C(C)(C)C)c3c2-c2cc(-c4cncc(C(N)=O)c4)c(OC)cc2OC3)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 3/20 0.34
▸ CDK2 P24941 3/20 0.34
▸ CCNA1 P78396 3/20 0.34
▸ ACVR1 Q04771 1/20 0.34
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ MKNK1 Q9BUB5 2/20 0.32
▸ MKNK2 Q9HBH9 2/20 0.32
▸ NR1H4 Q96RI1 1/20 0.31
▸ F10 P00742 3/20 0.31
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30
▸ MAP4K4 O95819 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
SCHEMBL17381648 0.96 CCNA2 (0.35) CCNA2CDK2CCNA1ACVR1CYP11B1
SCHEMBL17381637 0.93 NR1H4 (0.35) CCNA2CDK2CCNA1ACVR1CYP11B1
SCHEMBL17382120 0.92 ALPL (0.31) CCNA2CDK2CCNA1
SCHEMBL17382066 0.92 CCNA2 (0.35) CCNA2CDK2CCNA1ACVR1CYP11B1
SCHEMBL19321678 0.90 NR1H4 (0.35) CCNA2CDK2CCNA1CYP11B1CYP11B2
SCHEMBL17381651 0.89 CCNA2 (0.32) CCNA2CDK2CCNA1MKNK1MKNK2
SCHEMBL17382238 0.88 NR1H4 (0.34) MKNK1MKNK2NR1H4
SCHEMBL17382071 0.88 MKNK1 (0.32) CCNA2CDK2CCNA1ACVR1CYP11B1
SCHEMBL30681668 0.88 MKNK1 (0.32) CCNA2CDK2CCNA1ACVR1CYP11B1
SCHEMBL19321663 0.87 NR1H4 (0.34) CCNA2CDK2CCNA1NR1H4

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 CCNA2 4240/4885CDK2 637/4885CCNA1 4186/4885

“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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