Sugi Predict

Sugi Predict / Compounds / SCHEMBL4119927

SCHEMBL4119927

SCHEMBL4119927

Cc1ccc(S(=O)(=O)n2ccc3c(C(=O)CBr)ncnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ RAPGEF4 Q8WZA2 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALDH3A1 P30838 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ VEGFA P15692 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ YAP1 P46937 1/20 0.34

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
SCHEMBL13960904 0.88 L3MBTL1 (0.45) L3MBTL1RAPGEF4PTGDR2POLBALDH3A1
SCHEMBL3556162 0.85 L3MBTL1 (0.49) L3MBTL1RAPGEF4PTGDR2POLBALDH3A1
SCHEMBL4068111 0.85 L3MBTL1 (0.49) L3MBTL1RAPGEF4PTGDR2POLBALDH3A1
SCHEMBL13769391 0.83 L3MBTL1 (0.46) L3MBTL1RAPGEF4PTGDR2NOD1CA1
SCHEMBL15428434 0.82 L3MBTL1 (0.48) L3MBTL1RAPGEF4POLBALDH3A1HTT
SCHEMBL4067920 0.81 L3MBTL1 (0.44) L3MBTL1RAPGEF4POLBALDH3A1HTT
SCHEMBL14427677 0.79 L3MBTL1 (0.52) L3MBTL1RAPGEF4POLBALDH3A1HTT
SCHEMBL260617 0.79 L3MBTL1 (0.55) L3MBTL1RAPGEF4POLBALDH3A1HTT
SCHEMBL29247903 0.78 PTGDR2 (0.47) L3MBTL1RAPGEF4PTGDR2POLBALDH3A1
SCHEMBL13494114 0.77 L3MBTL1 (0.50) L3MBTL1RAPGEF4POLBALDH3A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315931-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-23 — — US disclosed
US-20140315931-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-23 — — US disclosed
US-20140315931-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-23 — — US disclosed
US-20140171454-A1 Substituted Pyrrolo[2,3-d]pyrimidines as Inhibitors of Protein Kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 — — US disclosed
US-20140171454-A1 Substituted Pyrrolo[2,3-d]pyrimidines as Inhibitors of Protein Kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 — — US disclosed
US-20140171454-A1 Substituted Pyrrolo[2,3-d]pyrimidines as Inhibitors of Protein Kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 — — US disclosed
US-8741912-B2 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-03 — — US disclosed
US-8741912-B2 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-03 — — US disclosed
US-8741912-B2 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-03 — — US disclosed
US-8633205-B2 Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
US-20090088445-A1 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-04-02 — — US disclosed
US-20090088445-A1 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-04-02 — — US disclosed
US-20090088445-A1 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-04-02 — — US disclosed
EP-1844050-B1 PYRROLOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMA (US) 2009-01-14 — — EP disclosed
EP-2001884-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES Vertex Pharmaceuticals, Inc. (US) 2008-12-17 — — EP disclosed
WO-2007117494-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-18 — — WO disclosed
US-20070004762-A9 Pyrrolopyrimidines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-01-04 — — US disclosed
US-20070004762-A9 Pyrrolopyrimidines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-01-04 — — US disclosed
US-20070004762-A9 Pyrrolopyrimidines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-01-04 — — US disclosed
US-20060183761-A1 Pyrrolopyrimidines useful as inhibitors of protein kinase LEDEBOER MARK 2006-08-17 — — 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 (5 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-20070004762-A9 Pyrrolopyrimidines useful as inhibitors of protein kinase PRKDC, MAP3K20, MAP3K5 L3MBTL1 2911/4885RAPGEF4 1036/4885PTGDR2 2096/4885
US-20090088445-A1 Deazapurines useful as inhibitors of Janus kinases JAK1, JAK3, JAK2 L3MBTL1 2062/4885RAPGEF4 2178/4885PTGDR2 2052/4885
US-20140315931-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 L3MBTL1 2062/4885RAPGEF4 2178/4885PTGDR2 2052/4885
US-20140171454-A1 Substituted Pyrrolo[2,3-d]pyrimidines as Inhibitors of Protein Kinases PRKDC, DCK, CDK2 L3MBTL1 2823/4885RAPGEF4 1522/4885PTGDR2 1243/4885
US-20060183761-A1 Pyrrolopyrimidines useful as inhibitors of protein kinase PRKDC, MAP3K20, MAP3K5 L3MBTL1 2911/4885RAPGEF4 1036/4885PTGDR2 2096/4885

“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.