SCHEMBL913699

SCHEMBL913699

CC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(NCc3ccc4c(c3)OCO4)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.55
AURKA O14965 3/20 0.52
RPS6KB1 P23443 3/20 0.52
AURKB Q96GD4 2/20 0.52
STAT6 P42226 7/20 0.50
JAK3 P52333 5/20 0.49
JAK2 O60674 4/20 0.49
PTK2 Q05397 1/20 0.49
JAK1 P23458 2/20 0.49
SYK P43405 2/20 0.49

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
SCHEMBL914163 0.85 JAK3 (0.62) AURKBSTAT6JAK3JAK2JAK1
SCHEMBL913623 0.85 STAT6 (0.64) AURKARPS6KB1STAT6JAK3JAK2
SCHEMBL913563 0.84 JAK3 (0.57) BRAFAURKARPS6KB1AURKBJAK3
SCHEMBL913684 0.84 JAK3 (0.56) STAT6JAK3JAK2PTK2JAK1
SCHEMBL912874 0.84 JAK3 (0.63) STAT6JAK3JAK2JAK1SYK
SCHEMBL915035 0.84 JAK3 (0.63) STAT6JAK3JAK2JAK1SYK
SCHEMBL913986 0.83 JAK3 (0.68) STAT6JAK3JAK2PTK2JAK1
SCHEMBL914215 0.83 JAK3 (0.68) BRAFSTAT6JAK3JAK2PTK2
SCHEMBL912933 0.83 JAK3 (0.62) STAT6JAK3JAK2PTK2JAK1
SCHEMBL914216 0.82 JAK3 (0.64) STAT6JAK3JAK2JAK1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US claimed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US claimed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 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 BRAF 301/4885AURKA 365/4885RPS6KB1 483/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 BRAF 301/4885AURKA 365/4885RPS6KB1 483/4885

“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.