SCHEMBL20995349

SCHEMBL20995349

Nc1ccc(-c2cn(C(F)(F)F)nn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ RAB9A P51151 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ PTGS2 P35354 4/20 0.37
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA5A P35218 2/20 0.34
▸ CA5B Q9Y2D0 2/20 0.34

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
SCHEMBL20995353 0.86 ALOX5 (0.41) P2RY14ALOX5RAB9ANPC1KIF11
SCHEMBL20995366 0.84 PTGS2 (0.43) RAB9ANPC1PTGS2SMN1; SMN2CYP3A4
SCHEMBL20995362 0.82 PTGS2 (0.49) P2RY14KIF11PTGS2HSP90AA1HSP90AB1
SCHEMBL20995390 0.82 FLT3 (0.45) RAB9ANPC1PTGS2KMT2AMEN1
SCHEMBL20995389 0.81 CYP19A1 (0.47) RAB9ANPC1PTGS2KMT2AMEN1
SCHEMBL20995348 0.78 HSP90AA1 (0.54) RAB9ANPC1PTGS2KMT2AMEN1
SCHEMBL20995365 0.76 KMT2A (0.46) RAB9ANPC1KEAP1KMT2AMEN1
SCHEMBL15426810 0.72 KEAP1 (0.55) ALOX5RAB9ANPC1KEAP1PTGS2
SCHEMBL20812240 0.69 PTGS2 (0.47) RAB9ANPC1PTGS2TP53ALDH1A1
SCHEMBL20995378 0.69 CYP19A1 (0.46) RAB9ANPC1PTGS2KMT2AMEN1

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 P2RY14 248/4885ALOX5 1221/4885RAB9A 549/4885
US-20190161452-A1 Process for the preparation of azidoperfluoroalkanes and N-polyfluoroalkyl azides CYP2F1, PRXL2A, CRBN P2RY14 248/4885ALOX5 1221/4885RAB9A 549/4885

“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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