Sugi Predict

Sugi Predict / Compounds / SCHEMBL1542355

SCHEMBL1542355

SCHEMBL1542355

COc1c(NC(=O)c2ccc(NCC(F)(F)F)c(F)c2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.43
▸ ABL1 P00519 1/20 0.39
▸ CD274 Q9NZQ7 2/20 0.38
▸ ABCB1 P08183 4/20 0.37
▸ BTK Q06187 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ABCC1 P33527 3/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KIT P10721 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ ITK Q08881 1/20 0.33

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
SCHEMBL1542446 0.89 CYP3A4 (0.48) CYP3A4ABL1CD274BTKMEN1
SCHEMBL2127623 0.86 CYP3A4 (0.53) CYP3A4ABL1CD274ABCB1BTK
SCHEMBL1543460 0.86 CYP3A4 (0.44) CYP3A4ABL1CD274ABCB1BTK
SCHEMBL1542911 0.82 CYP3A4 (0.49) CYP3A4ABL1CD274BTKMEN1
SCHEMBL1542657 0.82 CYP3A4 (0.49) CYP3A4ABL1ABCB1BTKMEN1
SCHEMBL1542768 0.82 CYP3A4 (0.42) CYP3A4ABL1CD274BTKCYP1A2
SCHEMBL1542748 0.81 CYP3A4 (0.47) CYP3A4ABL1CD274ABCB1BTK
SCHEMBL1542627 0.80 CYP3A4 (0.44) CYP3A4ABL1CD274ABCB1BTK
SCHEMBL1543199 0.80 SCN5A (0.40) ABL1ABCB1MEN1KMT2AABCC1
SCHEMBL2128418 0.80 CYP3A4 (0.49) CYP3A4ABL1ABCB1BTKMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 — — US claimed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 — — EP claimed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 — — US claimed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 — — US disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 — — EP disclosed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 — — EP disclosed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 — — WO disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 — — 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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B CYP3A4 528/4885ABL1 584/4885CD274 3357/4885

“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.