SCHEMBL913830

SCHEMBL913830

CC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(NCC3CCCN(C(=O)Nc4ccc(F)cc4)C3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.58
JAK2 O60674 3/20 0.47
JAK1 P23458 3/20 0.47
JAK3 P52333 3/20 0.47
PRKCQ Q04759 3/20 0.47
CCR3 P51677 1/20 0.47
CCNT1 O60563 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CDK9 P50750 1/20 0.46
ULK1 O75385 1/20 0.46
PDK1 Q15118 1/20 0.46
ULK2 Q8IYT8 1/20 0.46
FAAH O00519 1/20 0.46
AXL P30530 1/20 0.45
TYRO3 Q06418 1/20 0.45
MERTK Q12866 1/20 0.45
NTRK1 P04629 1/20 0.45
BMPR2 Q13873 1/20 0.45
TBK1 Q9UHD2 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
SCHEMBL913990 0.90 SYK (0.66) SYKJAK2JAK1JAK3PRKCQ
SCHEMBL913485 0.90 SYK (0.69) SYKJAK2JAK1JAK3PRKCQ
SCHEMBL913730 0.84 ULK1 (0.59) SYKJAK2JAK1JAK3CDK2
SCHEMBL915079 0.84 JAK2 (0.61) SYKJAK2JAK1JAK3
SCHEMBL913819 0.84 JAK3 (0.61) SYKJAK2JAK1JAK3
SCHEMBL14982156 0.84 SYK (0.55) SYKJAK2JAK1JAK3
SCHEMBL912950 0.83 SYK (0.55) SYKJAK2JAK1JAK3
SCHEMBL912996 0.83 ULK1 (0.59) SYKJAK2JAK1JAK3CDK2
SCHEMBL913556 0.83 SYK (0.54) SYKJAK2JAK1JAK3
SCHEMBL913828 0.82 SYK (0.46) SYKJAK2JAK1JAK3CCR3

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 12 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
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 SYK 72/4885JAK2 2/4885JAK1 1/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 SYK 72/4885JAK2 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.