SCHEMBL14907672

SCHEMBL14907672

CC(C)(C)OC(=O)NCCN/C(=N\C#N)NCc1ccnc2[nH]ccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
LATS1 O95835 1/20 0.36
BCHE P06276 1/20 0.36
NUDT1 P36639 1/20 0.36
NEK1 Q96PY6 1/20 0.35
KLKB1 P03952 1/20 0.35
IDO1 P14902 2/20 0.35
ACACB O00763 1/20 0.35
BTK Q06187 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.34
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
FLT3 P36888 1/20 0.33
MAP3K19 Q56UN5 1/20 0.33

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
SCHEMBL14907683 0.84 JAK1 (0.43) JAK2JAK1TYK2JAK3LATS1
SCHEMBL568259 0.84 NUDT1 (0.46) JAK2JAK1TYK2JAK3NUDT1
SCHEMBL14907649 0.82 JAK1 (0.42) JAK2JAK1TYK2JAK3LATS1
SCHEMBL14907692 0.81 IKBKB (0.42) JAK2JAK3NUDT1NEK1
SCHEMBL14907654 0.80 JAK2 (0.42) JAK2JAK1TYK2JAK3NUDT1
SCHEMBL14907982 0.79 CYP3A4 (0.42) JAK2JAK1TYK2JAK3NUDT1
SCHEMBL14907664 0.79 JAK2 (0.41) JAK2JAK1TYK2JAK3NUDT1
SCHEMBL14893978 0.78 VCP (0.36) JAK2JAK3NUDT1NEK1BTK
SCHEMBL14907712 0.78 VCP (0.36) JAK2JAK3NUDT1NEK1BTK
SCHEMBL14907661 0.77 NUDT1 (0.40) JAK2JAK1TYK2JAK3NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
WO-2013062945-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-05-02 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 (1 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-20140296204-A1 CHEMICAL COMPOUNDS DNMT1, DNMT3A, DNMT3B JAK2 381/4885JAK1 1077/4885TYK2 1664/4885

“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.