SCHEMBL16205707

SCHEMBL16205707

CC(C)(O)C#Cc1cc2c(-c3ccnc(N)n3)cn(C3CN(C(=O)OC(C)(C)C)C3)c2cn1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 10/20 0.51
CHUK O15111 6/20 0.50
MAP3K14 Q99558 3/20 0.48
PIKFYVE Q9Y2I7 1/20 0.39
PIK3CA P42336 1/20 0.38

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
SCHEMBL16205457 0.87 CHUK (0.63) TTBK1CHUKMAP3K14PIKFYVE
SCHEMBL16205696 0.85 PIK3CA (0.42) PIK3CA
SCHEMBL16205449 0.85 TTBK1 (0.55) TTBK1CHUKMAP3K14PIKFYVE
SCHEMBL16205703 0.83 TTBK1 (0.58) TTBK1CHUKMAP3K14PIKFYVE
SCHEMBL16205645 0.83 TTBK1 (0.58) TTBK1CHUKMAP3K14PIKFYVE
SCHEMBL16205706 0.83 TTBK1 (0.48) TTBK1CHUKMAP3K14
SCHEMBL16205426 0.82 CHUK (0.64) TTBK1CHUKMAP3K14PIKFYVE
SCHEMBL16205427 0.80 TTBK1 (0.54) TTBK1CHUKMAP3K14PIKFYVE
SCHEMBL16205428 0.80 TTBK1 (0.54) TTBK1CHUKMAP3K14PIKFYVE
SCHEMBL16205709 0.80 MAP3K14 (0.50) TTBK1CHUKMAP3K14

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 TTBK1 485/4885CHUK 25/4885MAP3K14 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.