SCHEMBL14158918

SCHEMBL14158918

Cn1ccc(S(=O)(=O)Nc2ccnc3c2c(-c2cccc(N4CCCC4)c2)cn3C)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYBB P04839 2/20 0.55
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ CCR2 P41597 1/20 0.33
▸ JMJD6 Q6NYC1 1/20 0.33
▸ EIF2AK3 Q9NZJ5 5/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ BCR P11274 1/20 0.33
▸ NMT1 P30419 1/20 0.33
▸ LCK P06239 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ PTK2 Q05397 1/20 0.32
▸ PGAM1 P18669 2/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ CDC42BPB Q9Y5S2 1/20 0.32
▸ PRMT5 O14744 1/20 0.32

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
SCHEMBL14158521 0.94 CYBB (0.56) CYBBCCNE1CDK2FLT3LCK
SCHEMBL14158736 0.91 CYBB (0.67) CYBBCCR2JMJD6EIF2AK3ABL1
SCHEMBL14158798 0.90 CYBB (0.52) CYBBCCR2JMJD6EIF2AK3ABL1
SCHEMBL14158590 0.90 CYBB (0.68) CYBBCCR2JMJD6EIF2AK3ABL1
SCHEMBL14158826 0.87 CYBB (0.43) CYBBCCR2EIF2AK3ABL1BCR
SCHEMBL14158681 0.87 GAA (0.46) CYBBCCNE1CDK2FLT3CCR2
SCHEMBL14243367 0.86 CYBB (0.42) CYBBFLT3EIF2AK3KDRPGAM1
SCHEMBL14158573 0.86 CYBB (0.42) CYBBFLT3EIF2AK3KDRPGAM1
SCHEMBL14158560 0.86 CYBB (0.55) CYBBCCR2JMJD6EIF2AK3NMT1
SCHEMBL14158620 0.85 CYBB (0.48) CYBBCCR2EIF2AK3PGAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 — — US disclosed
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 — — US disclosed
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 — — US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 — — US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 — — US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 — — US disclosed
EP-2717694-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Limited (GB) 2014-04-16 — — EP disclosed
WO-2012170752-A1 NOVEL COMPOUNDS GLAXO WELLCOME MANUFACTURING PTE LTD (SG) 2012-12-13 — — WO disclosed
WO-2012170752-A1 NOVEL COMPOUNDS GLAXO WELLCOME MANUFACTURING PTE LTD (SG) 2012-12-13 — — 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-20140155375-A1 NOVEL COMPOUNDS CYBB, NOX1, NOX4 CYBB 1/4885CCNE1 4667/4885CDK2 1503/4885

“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.

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