SCHEMBL20753936

SCHEMBL20753936

O=C(CCC(F)(F)F)N1CC=C(c2ncc(F)cc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 4/20 0.51
▸ TRPV1 Q8NER1 15/20 0.45
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL20753889 0.81 JAK1 (0.54) JAK1MEN1KMT2A
SCHEMBL20753995 0.80 JAK1 (0.51) JAK1MEN1KMT2A
SCHEMBL31196828 0.76 JAK1 (0.54) JAK1MEN1KMT2A
SCHEMBL22328950 0.76 GRM1 (0.57) TRPV1
SCHEMBL20744348 0.76 JAK1 (0.54) JAK1MEN1KMT2A
SCHEMBL20753927 0.76 JAK1 (0.56) JAK1
SCHEMBL20753972 0.76 JAK1 (0.53) JAK1MEN1KMT2A
SCHEMBL20744346 0.75 JAK1 (0.55) JAK1MEN1KMT2A
SCHEMBL20753956 0.75 JAK1 (0.52) JAK1MEN1KMT2A
SCHEMBL20753990 0.74 JAK1 (0.52) JAK1MEN1KMT2A

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
EP-3668853-B1 NOVEL COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-09-29 — — EP disclosed
US-20200253967-A1 NOVEL COMPOUNDS BioVersys AG (CH) 2020-08-13 — — US disclosed
WO-2019034701-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-21 — — WO 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-20200253967-A1 NOVEL COMPOUNDS FNTB, SDHA, FDPS JAK1 2904/4885TRPV1 3588/4885MEN1 2095/4885

“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.

Send feedback