SCHEMBL913797

SCHEMBL913797

CC(C)CCNc1cc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.49
IRAK4 Q9NWZ3 7/20 0.48
TYK2 P29597 5/20 0.48
JAK2 O60674 2/20 0.48
JAK1 P23458 2/20 0.48
CSF1R P07333 2/20 0.46
BTK Q06187 1/20 0.46
ULK1 O75385 1/20 0.46
PDK1 Q15118 1/20 0.46
ULK2 Q8IYT8 1/20 0.46
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
AURKB Q96GD4 1/20 0.44
PDPK1 O15530 1/20 0.43
CDK2 P24941 1/20 0.43
ALDH1A1 P00352 1/20 0.42
AAK1 Q2M2I8 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
STK17B O94768 1/20 0.41
SIK2 Q9H0K1 1/20 0.41

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
SCHEMBL913648 0.91 JAK3 (0.50) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL914732 0.86 JAK3 (0.54) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL914146 0.85 JAK3 (0.69) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL3712540 0.84 JAK3 (0.48) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL913565 0.82 JAK3 (0.53) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL913567 0.82 JAK3 (0.53) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL914045 0.82 JAK3 (0.55) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL914353 0.82 JAK3 (0.56) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL913975 0.82 JAK3 (0.56) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL3715696 0.80 JAK3 (0.44) JAK3IRAK4TYK2JAK2JAK1

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 16 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-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
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-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 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-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 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
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 WO disclosed
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 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 (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 JAK3 3/4885IRAK4 48/4885TYK2 6/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 JAK3 3/4885IRAK4 48/4885TYK2 6/4885

“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.