SCHEMBL5229483

SCHEMBL5229483

Cc1cnc2c(NCCNC(=O)OC(C)(C)C)nc3cc(CCCC#CO)sc3n12

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 3/20 0.48
▸ CHUK O15111 3/20 0.48
▸ BRD4 O60885 17/20 0.45

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
SCHEMBL5228780 0.82 IKBKB (0.56) IKBKBCHUKBRD4
SCHEMBL5234563 0.80 IKBKB (0.58) IKBKBCHUK
SCHEMBL5229488 0.78 IKBKB (0.47) IKBKBCHUKBRD4
SCHEMBL5229308 0.77 IKBKB (0.52) IKBKBCHUKBRD4
SCHEMBL14432273 0.70 IKBKB (0.62) IKBKBCHUK
SCHEMBL14432445 0.69 IKBKB (0.83) IKBKBCHUK
SCHEMBL14431809 0.68 IKBKB (0.65) IKBKBCHUK
SCHEMBL14431786 0.67 IKBKB (0.63) IKBKBCHUK
SCHEMBL14431789 0.67 IKBKB (0.82) IKBKBCHUK
SCHEMBL14432460 0.66 IKBKB (0.62) IKBKBCHUK

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
EP-1490371-B1 THIOPHENE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2007-08-15 — — EP disclosed
US-6933294-B2 Thiophene-based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-23 — — US disclosed
US-20040058930-A1 Thiophene-based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2004-03-25 — — US 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-20040058930-A1 Thiophene-based tricyclic compounds and pharmaceutical compositions comprising same ABCG2, PFAS, CYP2F1 IKBKB 2068/4885CHUK 902/4885BRD4 2324/4885

“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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