SCHEMBL14158798

SCHEMBL14158798

CCn1cc(-c2cccc(N3CCCC3)c2)c2c(NS(=O)(=O)c3ccn(C)n3)ccnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYBB P04839 2/20 0.52
▸ JMJD6 Q6NYC1 1/20 0.34
▸ EIF2AK3 Q9NZJ5 1/20 0.33
▸ CCR2 P41597 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ ABL1 P00519 1/20 0.31
▸ BCR P11274 1/20 0.31
▸ NMT1 P30419 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ PTK2 Q05397 2/20 0.31
▸ ACVR1 Q04771 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ METTL3 Q86U44 1/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31
▸ PGAM1 P18669 2/20 0.30
▸ ROCK2 O75116 2/20 0.30
▸ ROCK1 Q13464 1/20 0.30

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
SCHEMBL14158918 0.90 CYBB (0.55) CYBBJMJD6EIF2AK3CCR2PIM1
SCHEMBL14158736 0.88 CYBB (0.67) CYBBJMJD6EIF2AK3CCR2PIM1
SCHEMBL14158590 0.87 CYBB (0.68) CYBBJMJD6EIF2AK3CCR2ABL1
SCHEMBL14158521 0.84 CYBB (0.56) CYBBLCKKDRPTK2JAK2
SCHEMBL14158643 0.82 ROCK1 (0.46) CYBBROCK2ROCK1CDC42BPB
SCHEMBL14158776 0.81 CYBB (0.45) CYBBCCR2ABL1BCRNMT1
SCHEMBL14158872 0.81 CYBB (0.78) CYBBCCR2ABL1LCKPTK2
SCHEMBL14158826 0.79 CYBB (0.43) CYBBEIF2AK3CCR2PIM1ABL1
SCHEMBL14158506 0.78 CYBB (0.41) CYBBCCR2ABL1BCRNMT1
SCHEMBL14158755 0.77 SLC40A1 (0.43) CYBBPGAM1ALDH1A1LMNA

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 1/4885JMJD6 2279/4885EIF2AK3 3658/4885

“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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