SCHEMBL16608595

SCHEMBL16608595

CC(C)Cn1cc(-c2cnn(COCC[Si](C)(C)C)c2)c2cc(Br)ncc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHUK O15111 2/20 0.38
DGAT1 O75907 1/20 0.38
KCNH2 Q12809 1/20 0.37
DYRK1A Q13627 1/20 0.37
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
SCN5A Q14524 2/20 0.33
SCN9A Q15858 2/20 0.33
PDPK1 O15530 1/20 0.31
PIK3CA P42336 1/20 0.31
MAPK1 P28482 1/20 0.31
TTK P33981 1/20 0.30
MAPK8 P45983 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
SCHEMBL16608644 0.89 DGAT1 (0.41) CHUKDGAT1
SCHEMBL30692870 0.88 DGAT1 (0.43) CHUKDGAT1DYRK1A
SCHEMBL21052340 0.88 DGAT1 (0.43) CHUKDGAT1DYRK1A
SCHEMBL19114436 0.87 CHUK (0.38) CHUKKCNH2DYRK1APIM1PIM3
SCHEMBL16608575 0.87 GSK3B (0.41) CHUKDGAT1DYRK1A
SCHEMBL16608646 0.87 DGAT1 (0.36) CHUKDGAT1DYRK1A
SCHEMBL18013729 0.87 DGAT1 (0.40) CHUKDGAT1DYRK1A
SCHEMBL16608588 0.86 DGAT1 (0.40) CHUKDGAT1
SCHEMBL16608601 0.85 DGAT1 (0.43) CHUKDGAT1
SCHEMBL16608596 0.85 CHUK (0.41) CHUKDGAT1DYRK1A

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 2685/4885KCNH2 3649/4885

“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.