SCHEMBL4404155

SCHEMBL4404155

[C-]#[N+]CN1CCC(c2ccc(Nc3cc(NCc4cc(F)ccc4F)c(C(N)=O)cn3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 12/20 0.55
▸ IRAK4 Q9NWZ3 5/20 0.55
▸ STAT6 P42226 4/20 0.46
▸ JAK2 O60674 5/20 0.42
▸ JAK1 P23458 5/20 0.42
▸ TYK2 P29597 4/20 0.42
▸ BTK Q06187 2/20 0.38
▸ LCK P06239 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ CSF1R P07333 1/20 0.36
▸ CCR3 P51677 1/20 0.36
▸ SYK P43405 1/20 0.36

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
SCHEMBL4404531 0.93 JAK3 (0.57) JAK3IRAK4STAT6JAK2JAK1
SCHEMBL4406800 0.89 JAK3 (0.51) JAK3IRAK4STAT6JAK2JAK1
SCHEMBL2694800 0.88 JAK3 (0.55) JAK3IRAK4STAT6JAK2JAK1
SCHEMBL2695411 0.87 JAK3 (0.57) JAK3IRAK4STAT6JAK2JAK1
SCHEMBL2696480 0.85 JAK3 (0.65) JAK3IRAK4STAT6JAK2JAK1
SCHEMBL2695785 0.85 JAK3 (0.61) JAK3IRAK4STAT6JAK2JAK1
SCHEMBL2697010 0.84 JAK3 (0.63) JAK3IRAK4STAT6JAK2JAK1
SCHEMBL2695961 0.82 JAK3 (0.57) JAK3IRAK4STAT6JAK2JAK1
SCHEMBL2695012 0.82 JAK3 (0.59) JAK3IRAK4STAT6JAK2JAK1
SCHEMBL4404159 0.81 JAK3 (0.48) JAK3IRAK4STAT6JAK2JAK1

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
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 — — US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 — — US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 — — 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 (2 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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK JAK3 4/4885IRAK4 37/4885STAT6 79/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK JAK3 4/4885IRAK4 37/4885STAT6 79/4885

“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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