SCHEMBL16205373

SCHEMBL16205373

COCCCn1cc(-c2nc(N)ncc2F)c2cc(Br)ncc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 6/20 0.43
DYRK1A Q13627 2/20 0.43
MAPKAPK2 P49137 1/20 0.39
CHUK O15111 2/20 0.39
PDK1 Q15118 2/20 0.34
GSK3B P49841 2/20 0.32
NFATC1 O95644 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 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
SCHEMBL16205695 0.94 DYRK1A (0.49) MAP3K14DYRK1AMAPKAPK2CHUKPDK1
SCHEMBL16205375 0.89 MAP3K14 (0.44) MAP3K14DYRK1AMAPKAPK2CHUKPDK1
SCHEMBL16205577 0.88 MAP3K14 (0.40) MAP3K14DYRK1AMAPKAPK2CHUKGSK3B
SCHEMBL16205699 0.86 MAP3K14 (0.39) MAP3K14DYRK1ACHUKGSK3BNFATC1
SCHEMBL16205567 0.84 MAP3K14 (0.37) MAP3K14DYRK1AMAPKAPK2TLR7
SCHEMBL16205383 0.84 MAP3K14 (0.36) MAP3K14DYRK1AMAPKAPK2PDK1TLR7
SCHEMBL16205554 0.83 MAP3K14 (0.36) MAP3K14DYRK1AMAPKAPK2TLR7
SCHEMBL18828067 0.82 DYRK1A (0.50) MAP3K14DYRK1AMAPKAPK2CHUKPDK1
SCHEMBL18828143 0.82 MAP3K14 (0.52) MAP3K14DYRK1AMAPKAPK2CHUK
SCHEMBL16205581 0.82 DYRK1A (0.33) MAP3K14DYRK1ACHUKPDK1ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643964-B2 3-(2-aminopyrimidin-4-yl)-5-(3-hydroxypropynyl)-1H-pyrrolo[2,3-C]pyridine derivatives as NIK inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2017-05-09 US disclosed
US-9643964-B2 3-(2-aminopyrimidin-4-yl)-5-(3-hydroxypropynyl)-1H-pyrrolo[2,3-C]pyridine derivatives as NIK inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2017-05-09 US disclosed
US-20160075699-A1 3-(2-AMINOPYRIMIDIN-4-YL)-5-(3-HYDROXYPROPYNYL)-1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA N.V. (BE) 2016-03-17 US disclosed
WO-2014174021-A1 3-(2-AMINOPYRIMIDIN-4-YL)-5-(3-HYDROXYPROPYNYL)-1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2014-10-30 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-20160075699-A1 3-(2-AMINOPYRIMIDIN-4-YL)-5-(3-HYDROXYPROPYNYL)-1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS FOR THE TREATMENT OF CANCER NFKBIA, IKBKG, MAP3K14 MAP3K14 3/4885DYRK1A 1007/4885MAPKAPK2 34/4885

“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.