SCHEMBL16608396

SCHEMBL16608396

CCn1cc(-c2cn(COCC[Si](C)(C)C)nc2Cl)c2cc(Br)ncc21

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.38
CHUK O15111 3/20 0.31
CA12 O43570 2/20 0.31
CA9 Q16790 2/20 0.31
CA2 P00918 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
SCHEMBL16608608 0.89 DGAT1 (0.41) DGAT1CHUKCA12CA9
SCHEMBL20193220 0.87 CHUK (0.32) CHUKCA12CA9
SCHEMBL19114703 0.86 CHUK (0.34) CHUKCA12CA9
SCHEMBL16608610 0.85 DGAT1 (0.37) DGAT1CHUK
SCHEMBL19626258 0.83 DGAT1 (0.34) DGAT1
SCHEMBL16608644 0.82 DGAT1 (0.41) DGAT1CHUK
SCHEMBL16608658 0.81 CHUK (0.36) DGAT1CHUK
SCHEMBL16608302 0.81 CHUK (0.56) CHUK
SCHEMBL16608287 0.81 DGAT1 (0.30) DGAT1
SCHEMBL16608400 0.80 PDE4A (0.37) DGAT1

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 DGAT1 2685/4885CHUK 30/4885CA12 4869/4885

“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.