SCHEMBL16608596

SCHEMBL16608596

COCCCn1cc(-c2cnn(COCC[Si](C)(C)C)c2)c2cc(Br)ncc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHUK O15111 3/20 0.41
DGAT1 O75907 2/20 0.39
GSK3B P49841 2/20 0.35
DYRK1A Q13627 2/20 0.35
NFATC1 O95644 1/20 0.35
FEN1 P39748 1/20 0.34
MAP3K14 Q99558 3/20 0.34
BTK Q06187 1/20 0.33
GRM4 Q14833 1/20 0.31
MAPKAPK2 P49137 1/20 0.30
JAK2 O60674 1/20 0.30

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
SCHEMBL16608575 0.94 GSK3B (0.41) CHUKDGAT1GSK3BDYRK1ANFATC1
SCHEMBL21052340 0.89 DGAT1 (0.43) CHUKDGAT1GSK3BDYRK1ANFATC1
SCHEMBL30692870 0.89 DGAT1 (0.43) CHUKDGAT1GSK3BDYRK1ANFATC1
SCHEMBL18013729 0.88 DGAT1 (0.40) CHUKDGAT1GSK3BDYRK1ANFATC1
SCHEMBL16608648 0.88 DGAT1 (0.38) CHUKDGAT1
SCHEMBL16608644 0.88 DGAT1 (0.41) CHUKDGAT1
SCHEMBL20193214 0.88 CHUK (0.41) CHUKGSK3BDYRK1ANFATC1FEN1
SCHEMBL16608588 0.87 DGAT1 (0.40) CHUKDGAT1FEN1
SCHEMBL16608595 0.85 CHUK (0.38) CHUKDGAT1DYRK1A
SCHEMBL16608618 0.85 CHUK (0.44) CHUKDGAT1FEN1

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 CHUK 30/4885DGAT1 2685/4885GSK3B 573/4885

“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.