SCHEMBL16205702

SCHEMBL16205702

COCCn1cc(-c2ccnc(N)n2)c2cc(C#CC3(O)CN(C(=O)OC(C)(C)C)C3)ncc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.49
CHUK O15111 8/20 0.42
MAP3K14 Q99558 3/20 0.39
TTBK1 Q5TCY1 1/20 0.39
GSK3B P49841 2/20 0.35
PAK4 O96013 1/20 0.34
PAK1 Q13153 1/20 0.34
PAK2 Q13177 1/20 0.34
PKN1 Q16512 1/20 0.34
PAK6 Q9NQU5 1/20 0.34
PAK5 Q9P286 1/20 0.34
DYRK3 O43781 1/20 0.33
DYRK2 Q92630 1/20 0.33
MAP4K1 Q92918 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 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
SCHEMBL16205709 0.85 MAP3K14 (0.50) DYRK1ACHUKMAP3K14TTBK1
SCHEMBL16205615 0.84 MAP3K14 (0.52) DYRK1ACHUKMAP3K14TTBK1
SCHEMBL16205464 0.84 DYRK1A (0.56) DYRK1ACHUKMAP3K14TTBK1GSK3B
SCHEMBL16205399 0.83 DYRK1A (0.55) DYRK1ACHUKMAP3K14TTBK1GSK3B
SCHEMBL16205469 0.80 CHUK (0.64) DYRK1ACHUKMAP3K14TTBK1
SCHEMBL16205425 0.78 MAP3K14 (0.62) DYRK1ACHUKMAP3K14TTBK1
SCHEMBL16205412 0.78 DYRK1A (0.58) DYRK1ACHUKMAP3K14TTBK1GSK3B
SCHEMBL16205484 0.77 TTBK1 (0.48) DYRK1ACHUKMAP3K14TTBK1
SCHEMBL16205395 0.76 CHUK (0.49) DYRK1ACHUKMAP3K14TTBK1PAK4
SCHEMBL16205521 0.76 MAP3K14 (0.54) DYRK1ACHUKMAP3K14TTBK1

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 DYRK1A 1007/4885CHUK 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.