SCHEMBL912904

SCHEMBL912904

NC(=O)c1cnc(Nc2ccc(F)c(NC(=O)N3CCCC3)c2)cc1NCc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 10/20 0.52
IRAK4 Q9NWZ3 5/20 0.52
JAK2 O60674 4/20 0.52
JAK1 P23458 4/20 0.52
TYK2 P29597 2/20 0.52
CSF1R P07333 1/20 0.49
BTK Q06187 1/20 0.49
STAT6 P42226 1/20 0.46
RPS6KB1 P23443 4/20 0.45
AURKA O14965 3/20 0.45
AURKB Q96GD4 2/20 0.45
NTRK1 P04629 2/20 0.43
CDC7 O00311 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42

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
SCHEMBL913843 0.98 JAK3 (0.52) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL913975 0.91 JAK3 (0.56) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL914114 0.89 JAK3 (0.51) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL914828 0.88 JAK3 (0.51) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL914045 0.85 JAK3 (0.55) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL13074782 0.84 JAK3 (0.54) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL914786 0.84 AURKA (0.55) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL4409455 0.82 STAT6 (0.62) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL914146 0.82 JAK3 (0.69) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL3720780 0.82 JAK3 (0.43) JAK3IRAK4JAK2JAK1TYK2

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.