SCHEMBL14907683

SCHEMBL14907683

CC(C)(C)OC(=O)NCCNC(=O)NCc1ccnc2[nH]ccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.43
JAK2 O60674 4/20 0.43
NUDT1 P36639 1/20 0.41
TYK2 P29597 2/20 0.39
JAK3 P52333 2/20 0.39
KLKB1 P03952 1/20 0.39
LATS1 O95835 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
BCHE P06276 1/20 0.39
CYP3A4 P08684 1/20 0.39
NEK1 Q96PY6 1/20 0.38
ACACB O00763 1/20 0.37
IDO1 P14902 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
EPHX1 P07099 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
BTK Q06187 2/20 0.37

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
SCHEMBL14907654 0.96 JAK2 (0.42) JAK1JAK2NUDT1TYK2JAK3
SCHEMBL568259 0.91 NUDT1 (0.46) JAK1JAK2NUDT1TYK2JAK3
SCHEMBL14907661 0.90 NUDT1 (0.40) JAK1JAK2NUDT1TYK2JAK3
SCHEMBL14907649 0.89 JAK1 (0.42) JAK1JAK2NUDT1TYK2JAK3
SCHEMBL14907982 0.85 CYP3A4 (0.42) JAK1JAK2NUDT1TYK2JAK3
SCHEMBL14907664 0.85 JAK2 (0.41) JAK1JAK2NUDT1TYK2JAK3
SCHEMBL14907681 0.84 NUDT1 (0.38) JAK1JAK2NUDT1JAK3KLKB1
SCHEMBL14907672 0.84 JAK2 (0.40) JAK1JAK2NUDT1TYK2JAK3
SCHEMBL14907691 0.83 IKBKB (0.45) NUDT1KLKB1NEK1
SCHEMBL14907650 0.81 AURKA (0.48) L3MBTL1CYP3A4BTK

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 3 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-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 JAK1 1077/4885JAK2 381/4885NUDT1 829/4885

“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.