SCHEMBL14907982

SCHEMBL14907982

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
CA12 O43570 6/20 0.39
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
CA9 Q16790 6/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NUDT1 P36639 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 1/20 0.38
DYRK1A Q13627 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
KLKB1 P03952 1/20 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
SCHEMBL14907664 0.98 JAK2 (0.41) CYP3A4JAK2JAK1CA12CA1
SCHEMBL14907649 0.96 JAK1 (0.42) CYP3A4JAK2JAK1L3MBTL1NUDT1
SCHEMBL14907654 0.88 JAK2 (0.42) CYP3A4JAK2JAK1CA12CA1
SCHEMBL568259 0.87 NUDT1 (0.46) JAK2JAK1TDP1L3MBTL1NUDT1
SCHEMBL14907711 0.87 TDP1 (0.43) TDP1NPSR1ATMPOLB
SCHEMBL14907675 0.85 BRD4 (0.42) CYP3A4JAK2JAK1L3MBTL1NUDT1
SCHEMBL14907683 0.85 JAK1 (0.43) CYP3A4JAK2JAK1L3MBTL1NUDT1
SCHEMBL14907987 0.81 ALDH1A1 (0.37) JAK2JAK1NUDT1TYK2JAK3
SCHEMBL14907989 0.80 AKT1 (0.38) JAK2NUDT1DYRK1AJAK3KLKB1
SCHEMBL14907661 0.80 NUDT1 (0.40) JAK2JAK1L3MBTL1NUDT1TYK2

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 CYP3A4 438/4885JAK2 381/4885JAK1 1077/4885

“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.