SCHEMBL16205609

SCHEMBL16205609

CC(C)(C)OC(=O)N1CC(n2cc(-c3nc(N)ncc3C(F)(F)F)c3cc(Br)ncc32)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.39
PIK3R1 P27986 4/20 0.36
MAP3K14 Q99558 3/20 0.35
SRC P12931 5/20 0.35
EGFR P00533 3/20 0.35
ABL1 P00519 3/20 0.34
ABL2 P42684 2/20 0.34
AKT1 P31749 1/20 0.34
MTOR P42345 1/20 0.34
TGFBR1 P36897 1/20 0.33
BCR P11274 1/20 0.33

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
SCHEMBL16205691 0.90 PIK3CA (0.40) PIK3CAPIK3R1MAP3K14SRCEGFR
SCHEMBL16205386 0.84 CHUK (0.37) MAP3K14EGFR
SCHEMBL16205377 0.84 SRC (0.44) PIK3CAPIK3R1MAP3K14SRCEGFR
SCHEMBL16205564 0.83 SRC (0.40) PIK3CAPIK3R1SRCEGFRABL1
SCHEMBL21096807 0.83 PIK3CA (0.40) PIK3CAPIK3R1MAP3K14SRCEGFR
SCHEMBL16205696 0.82 PIK3CA (0.42) PIK3CAPIK3R1SRCEGFRABL1
SCHEMBL16205585 0.82 PRKCG (0.40) PIK3CASRCEGFRABL1ABL2
SCHEMBL16205594 0.80 CCNT1 (0.33) MAP3K14
SCHEMBL16205608 0.80 MTOR (0.37) PIK3CAPIK3R1MAP3K14EGFRMTOR
SCHEMBL16205550 0.78 MAP3K14 (0.37) PIK3CAPIK3R1MAP3K14SRCABL1

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 1039/4885MAP3K14 3/4885

“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.