SCHEMBL913798

SCHEMBL913798

NC(=O)c1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCc1cccc(F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 6/20 0.65
JAK2 O60674 1/20 0.62
JAK1 P23458 1/20 0.62
JAK3 P52333 1/20 0.62
NTRK1 P04629 11/20 0.62
BMPR2 Q13873 2/20 0.60
TBK1 Q9UHD2 2/20 0.60
NUAK1 O60285 1/20 0.60
STK16 O75716 1/20 0.60
CSNK2A2 P19784 1/20 0.60
TYK2 P29597 1/20 0.60
AAK1 Q2M2I8 1/20 0.60
NUAK2 Q9H093 1/20 0.60
MKNK2 Q9HBH9 1/20 0.60
BMP2K Q9NSY1 1/20 0.60
AURKA O14965 1/20 0.55
RPS6KB1 P23443 1/20 0.55
AURKB Q96GD4 1/20 0.55
ULK1 O75385 1/20 0.55
PDK1 Q15118 1/20 0.55

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
SCHEMBL912281 0.93 NTRK1 (0.64) STAT6JAK2JAK1JAK3NTRK1
SCHEMBL913592 0.93 STAT6 (0.74) STAT6JAK2JAK1JAK3NTRK1
SCHEMBL913548 0.91 STAT6 (0.67) STAT6NTRK1BMPR2TBK1NUAK1
SCHEMBL914035 0.91 STAT6 (0.68) STAT6NTRK1BMPR2TBK1NUAK1
SCHEMBL912929 0.90 STAT6 (0.65) STAT6JAK2JAK1JAK3NTRK1
SCHEMBL913657 0.90 STAT6 (0.65) STAT6NTRK1BMPR2TBK1NUAK1
SCHEMBL913654 0.89 STAT6 (0.62) STAT6JAK2JAK1JAK3NTRK1
SCHEMBL913939 0.87 STAT6 (0.62) STAT6JAK2JAK1JAK3NTRK1
SCHEMBL3808082 0.86 RPS6KB1 (0.55) STAT6JAK2JAK1JAK3NTRK1
SCHEMBL914215 0.86 JAK3 (0.68) STAT6JAK2JAK1JAK3NTRK1

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 17 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
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 WO 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 STAT6 16/4885JAK2 2/4885JAK1 1/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 STAT6 16/4885JAK2 2/4885JAK1 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.