SCHEMBL16205376

SCHEMBL16205376

Nc1ncc(F)c(-c2cn(C3CCOC3)c3cnc(Br)cc23)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.34
PIK3R1 P27986 2/20 0.34
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
MTOR P42345 6/20 0.32
LYN P07948 1/20 0.32
BTK Q06187 1/20 0.32
MAP3K14 Q99558 2/20 0.32
SRC P12931 3/20 0.31
LCK P06239 1/20 0.31
TEK Q02763 1/20 0.31
MAPK14 Q16539 1/20 0.31
HTR3A P46098 1/20 0.31
SCN9A Q15858 2/20 0.31
PIK3CD O00329 2/20 0.31
ABL1 P00519 2/20 0.31
EGFR P00533 2/20 0.31
HCK P08631 2/20 0.31
KDR P35968 2/20 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
SCHEMBL16205749 0.92 MTOR (0.32) MTORMAP3K14RPTORMLST8RICTOR
SCHEMBL16205385 0.85 CHUK (0.36) MAP3K14
SCHEMBL16205562 0.84 MAP3K14 (0.44) MAP3K14
SCHEMBL16205570 0.84 MAPK14 (0.36) LYNMAP3K14LCKMAPK14KDR
SCHEMBL16205737 0.84 MAP3K14 (0.31) MAP3K14
SCHEMBL16205600 0.82 MAP3K14 (0.41) MAP3K14
SCHEMBL16205572 0.82 MAP3K14 (0.34) MAP3K14
SCHEMBL16205596 0.82 HTR6 (0.36) LYNBTKSRCABL1EGFR
SCHEMBL16205391 0.82 MAP3K14 (0.37) LYNBTKMAP3K14SRC
SCHEMBL19627457 0.81 MAP3K14 (0.36) PIK3CAMAP3K14MAPK14

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 PIK3CA 274/4885PIK3R1 1039/4885GSK3B 473/4885

“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.