SCHEMBL16608643

SCHEMBL16608643

Cc1ccc(S(=O)(=O)n2cc(-c3cnn(COCC[Si](C)(C)C)c3)c3cc(Br)ncc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
DGAT1 O75907 1/20 0.38
BRD4 O60885 4/20 0.36
PTPN11 Q06124 1/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
LRRK2 Q5S007 1/20 0.33
EED O75530 3/20 0.33
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
HTR6 P50406 3/20 0.32
KDM4E B2RXH2 1/20 0.31
UBE2N P61088 1/20 0.31
ALOX5 P09917 1/20 0.31
ALK Q9UM73 1/20 0.31

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
SCHEMBL20193178 0.90 L3MBTL1 (0.39) L3MBTL1BRD4PTPN11PIM1PIM2
SCHEMBL19626284 0.89 L3MBTL1 (0.41) L3MBTL1BRD4PTPN11PIM1PIM2
SCHEMBL18013731 0.88 L3MBTL1 (0.37) L3MBTL1DGAT1BRD4PTPN11PIM1
SCHEMBL16608654 0.86 DGAT1 (0.36) DGAT1
SCHEMBL16608400 0.85 PDE4A (0.37) L3MBTL1DGAT1BRD4PTPN11PIM1
SCHEMBL16608290 0.83 CHUK (0.47)
SCHEMBL16608487 0.82 DGAT1 (0.33) DGAT1HTR6
SCHEMBL16608489 0.82 DGAT1 (0.35) DGAT1BRD4ALK
SCHEMBL16608588 0.80 DGAT1 (0.40) DGAT1BRD4
SCHEMBL16608644 0.80 DGAT1 (0.41) DGAT1LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981963-B2 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridine derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 US disclosed
EP-3049412-B1 NEW 3-(1H-PYRAZOL-4-YL)-1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-07-12 EP disclosed
US-20160229851-A1 NEW 3-(1H-PYRAZOL-4-YL)-1H-PYRROLO[2,3-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2016-08-11 US disclosed
US-20160229851-A1 NEW 3-(1H-PYRAZOL-4-YL)-1H-PYRROLO[2,3-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2016-08-11 US disclosed
WO-2015044269-A1 NEW 3-(1H-PYRAZOL-4-YL)-1H-PYRROLO[2,3-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-04-02 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 (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-20160229851-A1 NEW 3-(1H-PYRAZOL-4-YL)-1H-PYRROLO[2,3-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K13 L3MBTL1 3443/4885DGAT1 2685/4885BRD4 696/4885

“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.