SCHEMBL16205608

SCHEMBL16205608

Nc1ncc(C(F)(F)F)c(-c2cn(C3COC3)c3cnc(Br)cc23)n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 13/20 0.37
PIK3CA P42336 13/20 0.37
EGFR P00533 1/20 0.37
MAP3K14 Q99558 3/20 0.32
RPTOR Q8N122 6/20 0.31
MLST8 Q9BVC4 6/20 0.31
RICTOR Q6R327 4/20 0.31
MAPKAP1 Q9BPZ7 4/20 0.31
PIK3R1 P27986 3/20 0.31
TYK2 P29597 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
SCHEMBL16205594 0.88 CCNT1 (0.33) MAP3K14
SCHEMBL16205386 0.87 CHUK (0.37) EGFRMAP3K14
SCHEMBL16205749 0.87 MTOR (0.32) MTORMAP3K14RPTORMLST8RICTOR
SCHEMBL16205609 0.80 PIK3CA (0.39) MTORPIK3CAEGFRMAP3K14PIK3R1
SCHEMBL16205376 0.79 PIK3CA (0.34) MTORPIK3CAEGFRMAP3K14RPTOR
SCHEMBL16205402 0.78 MAP3K14 (0.55) EGFRMAP3K14
SCHEMBL16205371 0.78 CHUK (0.35) MTORPIK3CAPIK3R1
SCHEMBL21096798 0.78 ADORA2A (0.38) MTORPIK3CAMAP3K14
SCHEMBL16205593 0.77 DYRK1A (0.45) EGFRMAP3K14TYK2
SCHEMBL16205737 0.74 MAP3K14 (0.31) MAP3K14

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 MTOR 475/4885PIK3CA 274/4885EGFR 1692/4885

“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.