SCHEMBL20753995

SCHEMBL20753995

O=C(CCC(F)(F)F)N1CC=C(c2cnc(F)c(F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 15/20 0.51
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NAMPT P43490 1/20 0.40
▸ PARP1 P09874 1/20 0.38
▸ PARP2 Q9UGN5 1/20 0.38
▸ JAK2 O60674 6/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ DGAT1 O75907 1/20 0.37

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
SCHEMBL20744348 0.83 JAK1 (0.54) JAK1MEN1KMT2ANAMPTPARP1
SCHEMBL31196828 0.83 JAK1 (0.54) JAK1MEN1KMT2ANAMPTPARP1
SCHEMBL20744346 0.80 JAK1 (0.55) JAK1MEN1KMT2ANAMPTJAK2
SCHEMBL20753972 0.80 JAK1 (0.53) JAK1MEN1KMT2AJAK2
SCHEMBL20753936 0.80 JAK1 (0.51) JAK1MEN1KMT2A
SCHEMBL20754050 0.80 JAK1 (0.48) JAK1MEN1KMT2ANAMPTJAK2
SCHEMBL20754073 0.80 JAK1 (0.53) JAK1MEN1KMT2ANAMPTPARP1
SCHEMBL20753940 0.78 JAK1 (0.46) JAK1MEN1KMT2ANAMPTJAK2
SCHEMBL20753877 0.77 JAK1 (0.52) JAK1MEN1KMT2AJAK2
SCHEMBL20753956 0.77 JAK1 (0.52) 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.

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