Sugi Predict

Sugi Predict / Compounds / SCHEMBL708296

SCHEMBL708296

SCHEMBL708296

O=S(=O)(Cl)c1ccc(Br)cc1CCBr

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CA2 P00918 5/20 0.32
▸ CA1 P00915 4/20 0.32
▸ CA9 Q16790 3/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ TRPV4 Q9HBA0 2/20 0.32
▸ CA12 O43570 2/20 0.31
▸ S100A4 P26447 1/20 0.31
▸ PLCG1 P19174 1/20 0.31
▸ DDR1 Q08345 1/20 0.30
▸ TSHR P16473 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
SCHEMBL16099504 0.85 CA2 (0.40) GLASMN1; SMN2CA2CA1CA9
SCHEMBL11507492 0.84 GLA (0.42) GLASMN1; SMN2CA2CA1TRPV4
SCHEMBL552405 0.81 SMN1; SMN2 (0.41) GLASMN1; SMN2CA2CA1TRPV4
SCHEMBL18064264 0.77 F13A1 (0.45) —
SCHEMBL18498632 0.76 SMN1; SMN2 (0.41) GLASMN1; SMN2CA2CA1TRPV4
SCHEMBL18498869 0.76 TRPV4 (0.40) GLASMN1; SMN2CA2CA1CA9
SCHEMBL18498847 0.76 TRPV4 (0.36) GLASMN1; SMN2CA2CA1CA9
SCHEMBL18064112 0.76 CA1 (0.39) GLASMN1; SMN2CA2CA1TRPV4
SCHEMBL9475157 0.76 TDP1 (0.37) CA2CA1TRPV4PLCG1
SCHEMBL18498655 0.76 ALDH1A1 (0.40) GLASMN1; SMN2CA2CA1CA9

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297142-B1 NOVEL SUBSTITUTED PYRIDIN-2-ONES AND PYRIDAZIN-3-ONES HOFFMANN LA ROCHE (CH) 2015-10-14 — — EP disclosed
EP-2307413-B1 NOVEL PHENYL-IMIDAZOPYRIDINES AND PYRIDAZINES HOFFMANN LA ROCHE (CH) 2015-09-09 — — EP disclosed
US-8822457-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2014-09-02 — — US disclosed
US-8822457-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2014-09-02 — — US disclosed
US-8822457-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2014-09-02 — — US disclosed
US-20140194413-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ROCHE PALO ALTO LLC (US) 2014-07-10 — — US disclosed
US-20140194413-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ROCHE PALO ALTO LLC (US) 2014-07-10 — — US disclosed
US-20140194413-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ROCHE PALO ALTO LLC (US) 2014-07-10 — — US disclosed
EP-2307418-B1 NOVEL PHENYLIMIDAZOPYRAZINES HOFFMANN LA ROCHE (CH) 2014-03-12 — — EP disclosed
US-8618098-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-12-31 — — US disclosed
WO-2010006970-A1 NOVEL PHENYLIMIDAZOPYRAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 — — WO disclosed
US-20100004231-A1 INHIBITORS OF BURTON'S TYROSINE KINASE ROCHE PALO ALTO LLC 2010-01-07 — — US disclosed
US-20100004231-A1 INHIBITORS OF BURTON'S TYROSINE KINASE ROCHE PALO ALTO LLC 2010-01-07 — — US disclosed
US-20100004231-A1 INHIBITORS OF BURTON'S TYROSINE KINASE ROCHE PALO ALTO LLC 2010-01-07 — — US disclosed
WO-2010000633-A1 NOVEL PHENYLPYRAZINONES AS KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-07 — — WO disclosed
WO-2010000633-A1 NOVEL PHENYLPYRAZINONES AS KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-07 — — WO disclosed
WO-2009156284-A1 NOVEL SUBSTITUTED PYRIDIN-2-ONES AND PYRIDAZIN-3-ONES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-30 — — WO disclosed
US-20090318448-A1 7-Dimethylamino-3-(2-methyl-3-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-3H-quinazolin-4-one; asthma ; inhibit Btk ROCHE PALO ALTO LLC 2009-12-24 — — US disclosed
US-20090318448-A1 7-Dimethylamino-3-(2-methyl-3-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-3H-quinazolin-4-one; asthma ; inhibit Btk ROCHE PALO ALTO LLC 2009-12-24 — — US disclosed
US-20090318448-A1 7-Dimethylamino-3-(2-methyl-3-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-3H-quinazolin-4-one; asthma ; inhibit Btk ROCHE PALO ALTO LLC 2009-12-24 — — 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 (3 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-20090318448-A1 7-Dimethylamino-3-(2-methyl-3-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-3H-quinazolin-4-one; asthma ; inhibit Btk BTK, LCK, SYK GLA 3123/4885SMN1; SMN2 3904/4885CA2 2712/4885
US-20100004231-A1 INHIBITORS OF BURTON'S TYROSINE KINASE BTK, LCK, LYN GLA 1878/4885SMN1; SMN2 3880/4885CA2 2437/4885
US-20140194413-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN GLA 2301/4885SMN1; SMN2 3803/4885CA2 3121/4885

“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.