SCHEMBL21944866

SCHEMBL21944866

Oc1cc(OC(F)(F)F)cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.45
▸ TPX2 Q9ULW0 1/20 0.45
▸ RXRA P19793 5/20 0.39
▸ RXRB P28702 5/20 0.39
▸ RXRG P48443 4/20 0.39
▸ SERPINE1 P05121 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ IDO1 P14902 2/20 0.35
▸ KIF11 P52732 1/20 0.34
▸ CES2 O00748 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ AKR1C1 Q04828 1/20 0.33
▸ PTPN2 P17706 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PTPN6 P29350 1/20 0.33

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
SCHEMBL21944998 0.86 AURKA (0.54) AURKATPX2PTGS1KIF11TRPV1
SCHEMBL29319988 0.80 RXRA (0.48) RXRARXRBRXRGPTGS1IDO1
SCHEMBL21944789 0.80 AURKA (0.67) AURKATPX2KIF11AKR1C2AKR1C1
SCHEMBL4600736 0.78 IDO1 (0.41) SERPINE1IDO1KIF11CES2TRPV1
SCHEMBL816836 0.78 AURKA (0.44) AURKATPX2PTGS1KIF11GABRA1
SCHEMBL24445859 0.78 AURKA (0.44) AURKATPX2PTGS1KIF11GABRA1
SCHEMBL8999890 0.78 KIF11 (0.46) RXRARXRBRXRGPTGS1IDO1
SCHEMBL21944570 0.77 AURKA (0.48) AURKATPX2SERPINE1
SCHEMBL21945512 0.77 AURKA (0.55) AURKATPX2PTGS1KIF11AKR1C2
SCHEMBL18002202 0.75 SERPINE1 (0.37) AURKATPX2RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 — — 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 AURKA 1234/4885TPX2 2721/4885RXRA 3077/4885

“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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