SCHEMBL16205374

SCHEMBL16205374

COCCCn1cc(-c2cc(C)nc(N)n2)c2cc(Br)ncc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.48
MAP3K14 Q99558 6/20 0.41
CHUK O15111 2/20 0.39
MAPKAPK2 P49137 1/20 0.36
HSP90AA1 P07900 4/20 0.36
HSP90AB1 P08238 3/20 0.34
GSK3B P49841 3/20 0.33
NFATC1 O95644 1/20 0.33
EGFR P00533 1/20 0.32
MET P08581 1/20 0.32

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
SCHEMBL16205694 0.86 DYRK1A (0.67) DYRK1AMAP3K14CHUKMAPKAPK2GSK3B
SCHEMBL16205375 0.82 MAP3K14 (0.44) DYRK1AMAP3K14CHUKMAPKAPK2GSK3B
SCHEMBL16205440 0.81 CHUK (0.65) MAP3K14CHUK
SCHEMBL16205505 0.79 DYRK1A (0.76) DYRK1ACHUKGSK3BNFATC1
SCHEMBL16205373 0.79 MAP3K14 (0.43) DYRK1AMAP3K14CHUKMAPKAPK2GSK3B
SCHEMBL19626703 0.78 MAP3K14 (0.64) DYRK1AMAP3K14CHUKMAPKAPK2GSK3B
SCHEMBL21096565 0.76 MAP3K14 (0.45) DYRK1AMAP3K14CHUKMAPKAPK2GSK3B
SCHEMBL18828067 0.75 DYRK1A (0.50) DYRK1AMAP3K14CHUKMAPKAPK2GSK3B
SCHEMBL16205577 0.73 MAP3K14 (0.40) DYRK1AMAP3K14CHUKMAPKAPK2GSK3B
SCHEMBL16205541 0.72 DYRK1A (0.54) DYRK1AMAP3K14MAPKAPK2GSK3BNFATC1

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 1007/4885MAP3K14 3/4885CHUK 25/4885

“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.