Sugi Predict

Sugi Predict / Compounds / SCHEMBL10125007

SCHEMBL10125007

SCHEMBL10125007

COC(=O)c1ccc(-c2ccnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ BRD4 O60885 1/20 0.37
▸ PTGDR2 Q9Y5Y4 2/20 0.36
▸ TRIM24 O15164 1/20 0.35
▸ TRIM33 Q9UPN9 1/20 0.35
▸ PIK3C3 Q8NEB9 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ NCOA2 Q15596 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HDAC3 O15379 2/20 0.34
▸ HDAC4 P56524 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC7 Q8WUI4 2/20 0.34
▸ HDAC2 Q92769 2/20 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
SCHEMBL12346678 0.82 L3MBTL1 (0.44) L3MBTL1BRD4PTGDR2PIK3C3LMNA
SCHEMBL12346617 0.82 L3MBTL1 (0.40) L3MBTL1BRD4PTGDR2PIK3C3MAPT
SCHEMBL10125001 0.81 L3MBTL1 (0.49) L3MBTL1BRD4PTGDR2LMNAMAPT
SCHEMBL4633196 0.81 CYP2C19 (0.46) L3MBTL1PIK3C3KMT2AMEN1ENPP3
SCHEMBL10125005 0.81 L3MBTL1 (0.43) L3MBTL1BRD4PIK3C3KMT2AMEN1
SCHEMBL16380561 0.80 L3MBTL1 (0.40) L3MBTL1BRD4PTGDR2PIK3C3KMT2A
SCHEMBL14494739 0.80 L3MBTL1 (0.43) L3MBTL1BRD4PTGDR2HDAC3HDAC4
SCHEMBL2237896 0.79 L3MBTL1 (0.62) L3MBTL1BRD4PTGDR2MAPTPKM
SCHEMBL8240504 0.79 L3MBTL1 (0.46) L3MBTL1BRD4LMNAMAPTKMT2A
SCHEMBL8243099 0.78 AKT1 (0.47) L3MBTL1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921376-B2 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-30 — — US disclosed
US-8921376-B2 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-30 — — US disclosed
EP-1881983-B1 PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMA (US) 2012-01-11 — — EP disclosed
EP-2354140-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 — — EP disclosed
EP-2354139-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 — — EP disclosed
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-06-14 — — US disclosed
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-06-14 — — 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-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase JAK2, JAK1, JAK3 L3MBTL1 3383/4885BRD4 748/4885PTGDR2 1094/4885

“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.