SCHEMBL1898211

SCHEMBL1898211

Cc1ccc(S(=O)(=O)n2ccc3ccc(C)cc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
FABP4 P15090 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52
HTT P42858 3/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RAPGEF4 Q8WZA2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PKM P14618 1/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50

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
SCHEMBL429712 0.90 HTR6 (0.68) HTR6MEN1KMT2AFABP4L3MBTL1
SCHEMBL29829793 0.90 HTR6 (0.68) HTR6MEN1KMT2AFABP4L3MBTL1
SCHEMBL2573218 0.88 MEN1 (0.60) HTR6MEN1KMT2AFABP4L3MBTL1
SCHEMBL1306928 0.88 HTR6 (0.54) HTR6MEN1KMT2AL3MBTL1SLC1A3
SCHEMBL1892821 0.88 HTR6 (0.54) HTR6MEN1KMT2AFABP4L3MBTL1
SCHEMBL17049296 0.88 HTR6 (0.51) HTR6MEN1KMT2AFABP4L3MBTL1
SCHEMBL29408218 0.88 MEN1 (0.60) HTR6MEN1KMT2AFABP4L3MBTL1
SCHEMBL1894102 0.87 HTR6 (0.61) HTR6MEN1KMT2AFABP4L3MBTL1
SCHEMBL22980669 0.85 HTR6 (0.78) HTR6MEN1KMT2AL3MBTL1SLC1A3
SCHEMBL1892670 0.85 HTR6 (0.78) HTR6MEN1KMT2AFABP4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3285583-B1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF UNIV MICHIGAN REGENTS (US) 2021-03-17 EP disclosed
CN-112174938-A 4-indole-2-aminopyrimidine compounds and application thereof 浙江工业大学 2021-01-05 CN disclosed
WO-2016172218-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-10-27 WO disclosed
US-20160304485-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-20 US disclosed
EP-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US disclosed
EP-2247592-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP disclosed
WO-2009106442-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 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 (2 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-20090215750-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 HTR6 4358/4885MEN1 3942/4885KMT2A 1279/4885
US-20160304485-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, BCL2L11 HTR6 3868/4885MEN1 494/4885KMT2A 969/4885

“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.