SCHEMBL913612

SCHEMBL913612

CN(C)C1CCN(C(=O)Nc2cccc(Nc3cc(N[C@H](CO)c4ccccc4)c(C(N)=O)cn3)c2)C1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.61
JAK3 P52333 10/20 0.61
MAP4K1 Q92918 2/20 0.44
BUB1 O43683 2/20 0.40
JAK2 O60674 4/20 0.40
JAK1 P23458 3/20 0.40
TYK2 P29597 2/20 0.40
CSF1R P07333 1/20 0.40
BTK Q06187 1/20 0.40
ATR Q13535 1/20 0.39
MAP4K3 Q8IVH8 1/20 0.38

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
SCHEMBL913611 1.00 IRAK4 (0.61) IRAK4JAK3MAP4K1BUB1JAK2
SCHEMBL915211 0.86 IRAK4 (0.72) IRAK4JAK3MAP4K1JAK2JAK1
SCHEMBL915210 0.86 IRAK4 (0.72) IRAK4JAK3MAP4K1JAK2JAK1
SCHEMBL913822 0.84 IRAK4 (0.68) IRAK4JAK3MAP4K1JAK2JAK1
SCHEMBL913825 0.84 IRAK4 (0.68) IRAK4JAK3MAP4K1JAK2JAK1
SCHEMBL913113 0.83 IRAK4 (0.80) IRAK4JAK3MAP4K1JAK2JAK1
SCHEMBL913115 0.83 IRAK4 (0.80) IRAK4JAK3MAP4K1JAK2JAK1
SCHEMBL3716312 0.81 JAK3 (0.43) IRAK4JAK3BUB1JAK2JAK1
SCHEMBL913865 0.80 JAK3 (0.49) IRAK4JAK3JAK2JAK1TYK2
SCHEMBL913864 0.80 JAK3 (0.49) IRAK4JAK3JAK2JAK1TYK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US claimed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US claimed
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 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 (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-20130137673-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 IRAK4 48/4885JAK3 3/4885MAP4K1 76/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 IRAK4 48/4885JAK3 3/4885MAP4K1 76/4885

“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.