SCHEMBL16205343

SCHEMBL16205343

CCN1CCC(n2cc(-c3nc(N)ncc3F)c3cc(Br)ncc32)C1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 6/20 0.47
HTR6 P50406 6/20 0.36
MTOR P42345 1/20 0.32
CDK6 Q00534 2/20 0.31
CCND1 P24385 1/20 0.30

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
SCHEMBL16205347 0.95 MAP3K14 (0.43) MAP3K14HTR6CDK6CCND1
SCHEMBL16205520 0.94 MAP3K14 (0.41) MAP3K14CDK6CCND1
SCHEMBL19627454 0.93 MAP3K14 (0.43) MAP3K14HTR6
SCHEMBL16205344 0.93 MAP3K14 (0.41) MAP3K14
SCHEMBL16205576 0.92 MAP3K14 (0.41) MAP3K14CDK6
SCHEMBL19627460 0.91 MAP3K14 (0.42) MAP3K14
SCHEMBL16205625 0.89 MAP3K14 (0.38) MAP3K14CDK6
SCHEMBL19627461 0.89 MAP3K14 (0.40) MAP3K14
SCHEMBL16205391 0.88 MAP3K14 (0.37) MAP3K14HTR6
SCHEMBL16205387 0.88 MAP3K14 (0.39) MAP3K14

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 MAP3K14 3/4885HTR6 4602/4885MTOR 475/4885

“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.