SCHEMBL20754040

SCHEMBL20754040

O=C(CCC(F)(F)F)N1CC=C(c2cccc(C(F)(F)F)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 14/20 0.53
▸ HTR1A P08908 5/20 0.53
▸ DRD2 P14416 5/20 0.53
▸ DRD4 P21917 5/20 0.53
▸ KCNH2 Q12809 1/20 0.48
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ JAK2 O60674 2/20 0.43

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
SCHEMBL20754990 0.88 JAK1 (0.54) JAK1MEN1KMT2AJAK2
SCHEMBL20753955 0.87 JAK1 (0.53) JAK1MEN1KMT2AJAK2
SCHEMBL22328961 0.84 JAK1 (0.48) JAK1MEN1KMT2AJAK2
SCHEMBL20753926 0.81 JAK1 (0.52) JAK1JAK2
SCHEMBL20753990 0.81 JAK1 (0.52) JAK1MEN1KMT2AJAK2
SCHEMBL22328951 0.81 JAK1 (0.54) JAK1MEN1KMT2AJAK2
SCHEMBL22328954 0.78 GRM1 (0.56) HTR1ADRD2DRD4KCNH2
SCHEMBL20754073 0.78 JAK1 (0.53) JAK1KCNH2MEN1KMT2AJAK2
SCHEMBL20753877 0.77 JAK1 (0.52) JAK1MEN1KMT2AJAK2
SCHEMBL20753966 0.77 JAK1 (0.55) 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 2904/4885HTR1A 4739/4885DRD2 4616/4885

“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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