SCHEMBL913615

SCHEMBL913615

COCC(=O)N(c1cccc(Nc2ncc(C(N)=O)c(NCc3ccccc3)n2)c1)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 11/20 0.55
JAK3 P52333 5/20 0.53
JAK1 P23458 3/20 0.53
JAK2 O60674 3/20 0.53
SYK P43405 1/20 0.51
PTK2 Q05397 2/20 0.48
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48

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
SCHEMBL3723341 0.93 JAK3 (0.53) STAT6JAK3JAK1JAK2MAPK8
SCHEMBL913540 0.88 STAT6 (0.57) STAT6JAK3JAK1JAK2SYK
SCHEMBL913796 0.88 JAK3 (0.57) STAT6JAK3JAK1JAK2SYK
SCHEMBL912890 0.87 SYK (0.50) SYKMAPK8MAPK9
SCHEMBL912889 0.87 SYK (0.50) SYKMAPK8MAPK9
SCHEMBL3723340 0.84 MAPK8 (0.42) JAK3JAK1JAK2SYKMAPK8
SCHEMBL3721789 0.82 JAK3 (0.56) STAT6JAK3JAK1JAK2SYK
SCHEMBL3712394 0.81 JAK3 (0.56) STAT6JAK3JAK1JAK2SYK
SCHEMBL914764 0.81 STAT6 (0.60) STAT6JAK3JAK1JAK2SYK
SCHEMBL913581 0.81 STAT6 (0.60) STAT6JAK3JAK1JAK2SYK

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 11 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-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-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 STAT6 16/4885JAK3 3/4885JAK1 1/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 STAT6 16/4885JAK3 3/4885JAK1 1/4885

“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.