SCHEMBL16205404

SCHEMBL16205404

CC(C)(O)Cn1cc(-c2ccnc(N)n2)c2cc(C#CC3(O)CCC3)ncc21

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHUK O15111 11/20 0.48
TTBK1 Q5TCY1 4/20 0.47
MAP3K14 Q99558 4/20 0.43
DYRK1A Q13627 1/20 0.40

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
SCHEMBL16205395 0.97 CHUK (0.49) CHUKTTBK1MAP3K14DYRK1A
SCHEMBL16205484 0.97 TTBK1 (0.48) CHUKTTBK1MAP3K14DYRK1A
SCHEMBL16205463 0.90 TTBK1 (0.44) CHUKTTBK1DYRK1A
SCHEMBL16205478 0.86 TTBK1 (0.62) CHUKTTBK1
SCHEMBL16205644 0.84 TTBK1 (0.51) CHUKTTBK1DYRK1A
SCHEMBL16205435 0.82 TTBK1 (0.54) CHUKTTBK1MAP3K14
SCHEMBL16205439 0.82 CHUK (0.49) CHUKMAP3K14
SCHEMBL16205409 0.82 TTBK1 (0.50) CHUKTTBK1MAP3K14
SCHEMBL16205417 0.82 TTBK1 (0.53) CHUKTTBK1MAP3K14DYRK1A
SCHEMBL16205415 0.82 TTBK1 (0.53) CHUKTTBK1MAP3K14DYRK1A

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 CHUK 25/4885TTBK1 485/4885MAP3K14 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.