SCHEMBL20995384

SCHEMBL20995384

Cc1ccc(-c2cn(C(F)(F)C(F)(F)F)nn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ FLT3 P36888 1/20 0.43
▸ SRC P12931 5/20 0.43
▸ ATM Q13315 1/20 0.42
▸ PTGS2 P35354 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA5A P35218 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ KDR P35968 3/20 0.40
▸ EPHB4 P54760 3/20 0.40
▸ TEK Q02763 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A3 P47895 2/20 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
SCHEMBL20995347 0.90 FLT3 (0.41) NPC1RAB9AFLT3SRCATM
SCHEMBL20995390 0.86 FLT3 (0.45) NPC1RAB9AFLT3SRCATM
SCHEMBL20995378 0.84 CYP19A1 (0.46) NPC1RAB9ASRCPTGS2MEN1
SCHEMBL25494292 0.84 FLT3 (0.46) NPC1RAB9AFLT3SRCATM
SCHEMBL20995385 0.83 PTGS2 (0.47) PTGS2CA12CA9KDREPHB4
SCHEMBL20995353 0.83 ALOX5 (0.41) NPC1RAB9APTGS2MEN1KMT2A
SCHEMBL20995373 0.83 HSP90AA1 (0.52) NPC1RAB9APTGS2MEN1KMT2A
SCHEMBL27757262 0.78 NPC1 (0.52) NPC1RAB9AFLT3SRCATM
SCHEMBL20995351 0.77 CYP19A1 (0.42) NPC1RAB9ASRCPTGS2PTGS1
SCHEMBL20995370 0.74 MIF (0.50) NPC1KDREPHB4TEKL3MBTL1

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 NPC1 1255/4885RAB9A 549/4885FLT3 397/4885
US-20190161452-A1 Process for the preparation of azidoperfluoroalkanes and N-polyfluoroalkyl azides CYP2F1, PRXL2A, CRBN NPC1 1255/4885RAB9A 549/4885FLT3 397/4885

“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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