SCHEMBL18082011

SCHEMBL18082011

Nc1ncc(F)c(-n2cc(C3CCNCC3)c3cnc(Br)cc32)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
TTBK1 Q5TCY1 3/20 0.36
TLR9 Q9NR96 3/20 0.34
TLR8 Q9NR97 3/20 0.34
TLR7 Q9NYK1 3/20 0.34
HTR6 P50406 3/20 0.34
APP P05067 2/20 0.33
HRH4 Q9H3N8 1/20 0.31
MET P08581 1/20 0.30
WNT1 P04628 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
HTR1A P08908 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
SCHEMBL18080761 0.89 CHEK1 (0.37) TTBK1HTR6
SCHEMBL16610224 0.87 TTBK1 (0.39) TTBK1HTR6HRH4HTR1A
SCHEMBL16610264 0.84 TTBK1 (0.36) TTBK1WNT1GSK3BDYRK1AHTR1A
SCHEMBL16610281 0.83 TTBK1 (0.36) TTBK1WNT1GSK3BDYRK1AHTR1A
SCHEMBL16610285 0.82 TTBK1 (0.35) TTBK1TLR7WNT1GSK3BDYRK1A
SCHEMBL18080763 0.79 TTBK1 (0.39) TTBK1
SCHEMBL16610277 0.79 GPR119 (0.40) TTBK1
SCHEMBL16610284 0.78 TTBK1 (0.41) TTBK1
SCHEMBL16610225 0.71
SCHEMBL16610228 0.71 TTBK1 (0.36) TTBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071566-B1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-15 EP disclosed
US-10005773-B2 1-(4-pyrimidinyl)-1H-pyrrolo[3,2-c]pyridine derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 US disclosed
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2016-09-08 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-10005773-B2 1-(4-pyrimidinyl)-1H-pyrrolo[3,2-c]pyridine derivatives as NIK inhibitors MAP3K14, MAP3K15, MAP3K12 KCNH2 3421/4885TTBK1 578/4885TLR9 828/4885
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K12 KCNH2 3479/4885TTBK1 558/4885TLR9 971/4885

“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.