SCHEMBL22328951

SCHEMBL22328951

O=C(CCC(F)(F)F)N1CC=C(c2cccnn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 18/20 0.54
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ GRM1 Q13255 1/20 0.44
▸ JAK2 O60674 10/20 0.42

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 0.82 JAK1 (0.54) JAK1MEN1KMT2AGRM1JAK2
SCHEMBL20753955 0.81 JAK1 (0.53) JAK1MEN1KMT2AJAK2
SCHEMBL20754040 0.81 JAK1 (0.53) JAK1MEN1KMT2AJAK2
SCHEMBL20753934 0.78 JAK1 (0.63) JAK1JAK2
SCHEMBL20753966 0.78 JAK1 (0.55) JAK1MEN1KMT2AJAK2
SCHEMBL20753889 0.77 JAK1 (0.54) JAK1MEN1KMT2AGRM1JAK2
SCHEMBL20753972 0.76 JAK1 (0.53) JAK1MEN1KMT2AJAK2
SCHEMBL20753941 0.75 JAK1 (0.57) JAK1JAK2
SCHEMBL20753990 0.75 JAK1 (0.52) JAK1MEN1KMT2AJAK2
SCHEMBL20744346 0.74 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 2 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

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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