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SCHEMBL1605699

SCHEMBL1605699

Cc1ccc(S(=O)(=O)n2cc(I)c3nc(Cl)cnc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ NOD1 Q9Y239 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALDH3A1 P30838 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ BRD4 O60885 2/20 0.39
▸ RAPGEF4 Q8WZA2 1/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ CXCL8 P10145 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NOD2 Q9HC29 1/20 0.34
▸ NR1H2 P55055 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
SCHEMBL969116 0.87 BRD4 (0.45) NOD1ALDH3A1HTTALDH1A1BRD4
SCHEMBL29609087 0.85 L3MBTL1 (0.42) L3MBTL1NOD1POLBALDH3A1HTT
SCHEMBL721584 0.85 L3MBTL1 (0.42) L3MBTL1NOD1POLBALDH3A1HTT
SCHEMBL5924321 0.80 L3MBTL1 (0.50) L3MBTL1NOD1POLBALDH3A1HTT
SCHEMBL16932968 0.80 L3MBTL1 (0.41) L3MBTL1NOD1POLBALDH3A1HTT
SCHEMBL15652725 0.80 L3MBTL1 (0.41) L3MBTL1NOD1POLBALDH3A1HTT
SCHEMBL17883735 0.79 NPSR1 (0.39) L3MBTL1NOD1POLBALDH3A1HTT
SCHEMBL15652498 0.78 GRM4 (0.38) L3MBTL1NOD1POLBALDH3A1HTT
SCHEMBL15652525 0.78 L3MBTL1 (0.37) L3MBTL1NOD1POLBALDH3A1HTT
SCHEMBL25419377 0.78 ALDH1A1 (0.43) L3MBTL1NOD1POLBALDH3A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130096302-A1 PYRROLOPYRAZINES AND PYRAZOLOPYRAZINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2013-04-18 — — US disclosed
US-20130096302-A1 PYRROLOPYRAZINES AND PYRAZOLOPYRAZINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2013-04-18 — — US disclosed
US-20130096302-A1 PYRROLOPYRAZINES AND PYRAZOLOPYRAZINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2013-04-18 — — US disclosed
US-8372835-B2 Pyrrolopyrazines and pyrazolopyrazines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 — — US disclosed
US-8372835-B2 Pyrrolopyrazines and pyrazolopyrazines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 — — US disclosed
US-8372835-B2 Pyrrolopyrazines and pyrazolopyrazines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 — — US disclosed
EP-2316835-A1 Pyrrolopyrazines and pyrazolopyrazines useful as inhibitors of protein kinases Vertex Pharmceuticals Incorporated (US) 2011-05-04 — — EP disclosed
US-20110081364-A1 PYRROLOPYRAZINES AND PYRAZOLOPYRAZINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2011-04-07 — — US disclosed
US-20110081364-A1 PYRROLOPYRAZINES AND PYRAZOLOPYRAZINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2011-04-07 — — US disclosed
US-7795259-B2 Pyrrolopyrazines and pyrazolopyrazines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-14 — — US disclosed
US-7795259-B2 Pyrrolopyrazines and pyrazolopyrazines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-14 — — US disclosed
EP-1814882-A1 PYRROLOPYRAZINES AND PYRAZOLOPYRAZINES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2007-08-08 — — EP disclosed
US-20060258662-A1 Pyrrolopyrazines and pyrazolopyrazines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2006-11-16 — — US disclosed
WO-2006058074-A1 PYRROLOPYRAZINES AND PYRAZOLOPYRAZINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 — — WO 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-20130096302-A1 PYRROLOPYRAZINES AND PYRAZOLOPYRAZINES USEFUL AS INHIBITORS OF PROTEIN KINASES AURKC, AURKA, PLK1 L3MBTL1 3865/4885NOD1 3002/4885POLB 1514/4885
US-20060258662-A1 Pyrrolopyrazines and pyrazolopyrazines useful as inhibitors of protein kinases AURKC, AURKA, PLK1 L3MBTL1 3865/4885NOD1 3002/4885POLB 1514/4885
US-20110081364-A1 PYRROLOPYRAZINES AND PYRAZOLOPYRAZINES USEFUL AS INHIBITORS OF PROTEIN KINASES AURKC, AURKA, PLK1 L3MBTL1 3865/4885NOD1 3002/4885POLB 1514/4885

“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.