SCHEMBL913565

SCHEMBL913565

C[C@@H](Nc1cc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1C(N)=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.53
IRAK4 Q9NWZ3 6/20 0.53
JAK2 O60674 3/20 0.46
JAK1 P23458 3/20 0.46
TYK2 P29597 3/20 0.46
AURKA O14965 1/20 0.45
RPS6KB1 P23443 1/20 0.45
CSF1R P07333 1/20 0.44
BTK Q06187 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
SYK P43405 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PLK1 P53350 2/20 0.41
RAB9A P51151 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
SCHEMBL913567 1.00 JAK3 (0.53) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL3715696 0.89 JAK3 (0.44) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL12904687 0.88 IRAK4 (0.48) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL915211 0.88 IRAK4 (0.72) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL915210 0.88 IRAK4 (0.72) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL915147 0.86 JAK3 (0.59) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL915148 0.86 JAK3 (0.59) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL913648 0.84 JAK3 (0.50) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL913769 0.83 SYK (0.62) TYK2AURKARPS6KB1SYK
SCHEMBL913767 0.83 SYK (0.62) TYK2AURKARPS6KB1SYK

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 48/4885JAK2 2/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 JAK3 3/4885IRAK4 48/4885JAK2 2/4885

“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.