SCHEMBL20995355

SCHEMBL20995355

CCCCc1cn(C(F)(F)F)nn1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 4/20 0.50
GABRB2 P47870 4/20 0.50
GGPS1 O95749 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MIF P14174 1/20 0.42
CYP19A1 P11511 9/20 0.41
DDX3X O00571 1/20 0.38

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
SCHEMBL18767836 0.82 GABRA2 (0.49) GABRA2GABRB2GGPS1MIFCYP19A1
SCHEMBL24023219 0.81 GABRA2 (0.33) GABRA2GABRB2
SCHEMBL14212090 0.77 GABRA2 (0.38) GABRA2GABRB2GGPS1L3MBTL1MIF
SCHEMBL15222209 0.76 GABRA2 (0.45) GABRA2GABRB2GGPS1L3MBTL1MIF
SCHEMBL14681096 0.73 L3MBTL1 (0.46) GABRA2GABRB2GGPS1L3MBTL1MIF
SCHEMBL23265089 0.72 L3MBTL1 (0.45) GABRA2GABRB2GGPS1L3MBTL1MIF
SCHEMBL5021080 0.72 L3MBTL1 (0.56) GGPS1L3MBTL1MIFCYP19A1
SCHEMBL20812235 0.71 NOTUM (0.44) GABRA2GABRB2GGPS1MIFCYP19A1
SCHEMBL5020804 0.70 HRH4 (0.58) GGPS1L3MBTL1CYP19A1
SCHEMBL3560938 0.70 L3MBTL1 (0.55) GGPS1L3MBTL1CYP19A1

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 GABRA2 805/4885GABRB2 1060/4885GGPS1 4026/4885
US-20190161452-A1 Process for the preparation of azidoperfluoroalkanes and N-polyfluoroalkyl azides CYP2F1, PRXL2A, CRBN GABRA2 805/4885GABRB2 1060/4885GGPS1 4026/4885

“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.