SCHEMBL914786

SCHEMBL914786

NC(=O)c1cnc(Nc2cccc(NC(=O)N3CCOCC3)c2)cc1NCc1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.55
RPS6KB1 P23443 2/20 0.55
JAK3 P52333 8/20 0.54
STAT6 P42226 5/20 0.54
IRAK4 Q9NWZ3 4/20 0.54
JAK2 O60674 3/20 0.54
JAK1 P23458 2/20 0.54
TYK2 P29597 2/20 0.54
CSF1R P07333 1/20 0.53
BTK Q06187 1/20 0.53
NTRK1 P04629 4/20 0.49
AURKB Q96GD4 1/20 0.45

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
SCHEMBL913975 0.93 JAK3 (0.56) AURKARPS6KB1JAK3STAT6IRAK4
SCHEMBL913617 0.89 JAK3 (0.54) AURKARPS6KB1JAK3STAT6IRAK4
SCHEMBL2695069 0.87 STAT6 (0.64) AURKAJAK3STAT6IRAK4JAK2
SCHEMBL914045 0.86 JAK3 (0.55) AURKARPS6KB1JAK3STAT6IRAK4
SCHEMBL913592 0.85 STAT6 (0.74) AURKARPS6KB1JAK3STAT6JAK2
SCHEMBL13074856 0.85 JAK3 (0.65) AURKARPS6KB1JAK3STAT6IRAK4
SCHEMBL2486643 0.85 STAT6 (0.73) JAK3STAT6IRAK4JAK2JAK1
SCHEMBL912964 0.84 JAK3 (0.51) AURKARPS6KB1JAK3STAT6IRAK4
SCHEMBL912963 0.84 JAK3 (0.51) AURKARPS6KB1JAK3STAT6IRAK4
SCHEMBL914146 0.84 JAK3 (0.69) AURKARPS6KB1JAK3STAT6IRAK4

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 15 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

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 AURKA 365/4885RPS6KB1 483/4885JAK3 3/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 AURKA 365/4885RPS6KB1 483/4885JAK3 3/4885

“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.