SCHEMBL4404159

SCHEMBL4404159

[C-]#[N+]CN1CCC(c2ccc(Nc3cc(NCc4cccc5[nH]ccc45)c(C(N)=O)cn3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 12/20 0.48
▸ JAK2 O60674 7/20 0.42
▸ IRAK4 Q9NWZ3 5/20 0.42
▸ JAK1 P23458 4/20 0.42
▸ TYK2 P29597 3/20 0.42
▸ PARP1 P09874 1/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39
▸ STAT6 P42226 1/20 0.39
▸ BTK Q06187 2/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ LCK P06239 1/20 0.36
▸ AURKA O14965 1/20 0.35
▸ GPR52 Q9Y2T5 1/20 0.35
▸ PTK2 Q05397 2/20 0.35

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
SCHEMBL2696072 0.89 JAK3 (0.49) JAK3JAK2IRAK4JAK1TYK2
SCHEMBL2695787 0.88 JAK3 (0.50) JAK3JAK2IRAK4JAK1TYK2
SCHEMBL2695187 0.86 JAK3 (0.65) JAK3JAK2IRAK4JAK1TYK2
SCHEMBL4406800 0.85 JAK3 (0.51) JAK3JAK2IRAK4JAK1TYK2
SCHEMBL2695243 0.85 JAK3 (0.49) JAK3JAK2IRAK4JAK1TYK2
SCHEMBL17326809 0.84 JAK2 (0.45) JAK3JAK2IRAK4JAK1TYK2
SCHEMBL2693721 0.82 JAK3 (0.55) JAK3JAK2IRAK4JAK1TYK2
SCHEMBL4404155 0.81 JAK3 (0.55) JAK3JAK2IRAK4JAK1TYK2
SCHEMBL2695354 0.80 JAK3 (0.48) JAK3JAK2IRAK4JAK1TYK2
SCHEMBL2695523 0.80 JAK3 (0.53) JAK3JAK2IRAK4JAK1TYK2

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
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 (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-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK JAK3 4/4885JAK2 1/4885IRAK4 37/4885

“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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