Sugi Predict

Sugi Predict / Compounds / SCHEMBL5655431

SCHEMBL5655431

SCHEMBL5655431

Cn1cnc2c(NCc3ccccc3)nc3oc(-c4ccccc4)nc3c21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 5/20 0.73
▸ IKBKB O14920 4/20 0.73
▸ CHUK O15111 3/20 0.73
▸ BTK Q06187 2/20 0.73
▸ ITK Q08881 2/20 0.73
▸ IKBKE Q14164 2/20 0.73
▸ CDK1 P06493 6/20 0.51
▸ KDM4E B2RXH2 4/20 0.47
▸ CCNA2 P20248 3/20 0.47
▸ CCNA1 P78396 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ CCNE2 O96020 2/20 0.47
▸ CCNE1 P24864 2/20 0.47
▸ CDK5 Q00535 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CCNB2 O95067 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ GAA P10253 1/20 0.47

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
SCHEMBL5658626 0.89 IKBKB (0.77) CDK2IKBKBCHUKBTKITK
SCHEMBL5658019 0.87 IKBKB (0.73) CDK2IKBKBCHUKBTKITK
SCHEMBL5659550 0.86 IKBKB (0.72) CDK2IKBKBCHUKBTKITK
SCHEMBL5659274 0.86 IKBKB (0.72) CDK2IKBKBCHUKBTKITK
SCHEMBL5657846 0.85 IKBKB (1.00) CDK2IKBKBCHUKBTKITK
SCHEMBL5658857 0.85 IKBKB (0.71) CDK2IKBKBCHUKBTKITK
SCHEMBL5657367 0.84 IKBKB (0.69) CDK2IKBKBCHUKBTKITK
SCHEMBL5657486 0.83 IKBKB (0.68) CDK2IKBKBCHUKBTKITK
SCHEMBL5659142 0.83 IKBKB (0.78) CDK2IKBKBCHUKBTKITK
SCHEMBL5655430 0.82 IKBKB (0.67) CDK2IKBKBCHUKBTKITK

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-7176214-B2 Imidazo-fused oxazolo[4,5-β]pyridine and imidazo-fused thiazolo[4,5-β]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 — — US claimed
US-20060217412-A1 Imidazo-fused oxazolo[4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same PITTS WILLIAM J 2006-09-28 — — US claimed
US-20050101626-A1 Imidazo-fused oxazolo[4,5-beta]pyridine and imidazo-fused thiazolo[4,5-beta]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2005-05-12 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20050101626-A1 Imidazo-fused oxazolo[4,5-beta]pyridine and imidazo-fused thiazolo[4,5-beta]pyridine based tricyclic compounds and pharmaceutical compositions comprising same TPMT, IRAK4, P2RX7 CDK2 350/4885IKBKB 243/4885CHUK 197/4885
US-20060217412-A1 Imidazo-fused oxazolo[4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same TPMT, IRAK4, P2RX7 CDK2 325/4885IKBKB 151/4885CHUK 272/4885

“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.