SCHEMBL16205696

SCHEMBL16205696

CC(C)(C)OC(=O)N1CC(n2cc(-c3ccnc(N)n3)c3cc(Br)ncc32)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.42
DYRK1A Q13627 6/20 0.42
DYRK3 O43781 1/20 0.42
DYRK2 Q92630 1/20 0.42
SRC P12931 5/20 0.38
EGFR P00533 3/20 0.38
ABL1 P00519 2/20 0.37
ABL2 P42684 2/20 0.37
TGFBR1 P36897 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
PIK3R1 P27986 2/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34

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
SCHEMBL16205707 0.85 TTBK1 (0.51) PIK3CA
SCHEMBL16205691 0.84 PIK3CA (0.40) PIK3CASRCEGFRABL1ABL2
SCHEMBL16205609 0.82 PIK3CA (0.39) PIK3CASRCEGFRABL1ABL2
SCHEMBL16205704 0.82 DYRK1A (0.45) DYRK1ADYRK3DYRK2
SCHEMBL21096807 0.81 PIK3CA (0.40) PIK3CASRCEGFRABL1ABL2
SCHEMBL16205692 0.81 DYRK1A (0.42) PIK3CADYRK1ADYRK3DYRK2TGFBR1
SCHEMBL16205390 0.80 DYRK1A (0.41) DYRK1ADYRK3DYRK2
SCHEMBL17585410 0.80 PRKCG (0.44) PIK3CASRCEGFRABL1ABL2
SCHEMBL16205377 0.78 SRC (0.44) PIK3CASRCEGFRABL1ABL2
SCHEMBL16205587 0.78 PRKACA (0.45) DYRK1ADYRK3DYRK2

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 274/4885DYRK1A 1007/4885DYRK3 1268/4885

“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.