SCHEMBL20753966

SCHEMBL20753966

O=C(CCC(F)(F)F)N1CC=C(c2cc(C(F)(F)F)ccn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 15/20 0.55
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ JAK2 O60674 7/20 0.40
▸ TRPV1 Q8NER1 2/20 0.39
▸ EPHX2 P34913 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
SCHEMBL3326632 0.84 TRPV1 (0.43) TRPV1
SCHEMBL20753972 0.81 JAK1 (0.53) JAK1MEN1KMT2AJAK2
SCHEMBL20753877 0.80 JAK1 (0.52) JAK1MEN1KMT2AJAK2
SCHEMBL20753926 0.78 JAK1 (0.52) JAK1JAK2
SCHEMBL20753956 0.78 JAK1 (0.52) JAK1MEN1KMT2AJAK2
SCHEMBL22328952 0.78 JAK1 (0.52) JAK1MEN1KMT2AJAK2TRPV1
SCHEMBL4152429 0.78 GRM1 (0.54) —
SCHEMBL22328951 0.78 JAK1 (0.54) JAK1MEN1KMT2AJAK2
SCHEMBL20753990 0.78 JAK1 (0.52) JAK1MEN1KMT2AJAK2
SCHEMBL20753889 0.78 JAK1 (0.54) JAK1MEN1KMT2AJAK2

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 2904/4885MEN1 2095/4885KMT2A 4473/4885

“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