SCHEMBL20995383

SCHEMBL20995383

COc1ccc(-c2cn(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.48
▸ HSP90AB1 P08238 2/20 0.48
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SCN5A Q14524 1/20 0.42
▸ PTGS2 P35354 3/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ DPP4 P27487 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MGAM O43451 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SI P14410 1/20 0.40
▸ MGAM2 Q2M2H8 1/20 0.40
▸ ALDH1A3 P47895 1/20 0.40

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
SCHEMBL20995373 0.89 HSP90AA1 (0.52) HSP90AA1HSP90AB1MEN1KMT2ANPC1
SCHEMBL20995348 0.83 HSP90AA1 (0.54) HSP90AA1HSP90AB1MEN1KMT2ANPC1
SCHEMBL20995369 0.81 CYP19A1 (0.41) NPC1RAB9APTGS2PTGS1CA1
SCHEMBL20812238 0.81 HSP90AA1 (0.55) HSP90AA1HSP90AB1MEN1KMT2ANPC1
SCHEMBL20995347 0.79 FLT3 (0.41) MEN1KMT2ANPC1RAB9APTGS2
SCHEMBL20995351 0.75 CYP19A1 (0.42) NPC1RAB9APTGS2PTGS1CA1
SCHEMBL20995384 0.72 NPC1 (0.44) MEN1KMT2ANPC1RAB9APTGS2
SCHEMBL12427200 0.70 MEN1 (0.55) HSP90AA1HSP90AB1MEN1KMT2ANPC1
SCHEMBL20995378 0.70 CYP19A1 (0.46) MEN1KMT2ANPC1RAB9APTGS2
SCHEMBL20995385 0.69 PTGS2 (0.47) HSP90AA1HSP90AB1SCN5APTGS2ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190161452-A1 Process for the preparation of azidoperfluoroalkanes and N-polyfluoroalkyl azides USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2019-05-30 — — US claimed
US-10590091-B2 Process for the preparation of azidoperfluoroalkanes and N-polyfluoroalkyl azides Ustav Organicke Chemie A Biochemie AV CR , v.v.i. (CZ) 2020-03-17 — — US disclosed
US-20190161452-A1 Process for the preparation of azidoperfluoroalkanes and N-polyfluoroalkyl azides USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2019-05-30 — — 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-10590091-B2 Process for the preparation of azidoperfluoroalkanes and N-polyfluoroalkyl azides CYP2F1, PRXL2A, CRBN HSP90AA1 4472/4885HSP90AB1 4433/4885MEN1 3187/4885
US-20190161452-A1 Process for the preparation of azidoperfluoroalkanes and N-polyfluoroalkyl azides CYP2F1, PRXL2A, CRBN HSP90AA1 4472/4885HSP90AB1 4433/4885MEN1 3187/4885

“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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