SCHEMBL16205745

SCHEMBL16205745

COCCCn1cc(-c2nc(N)ncc2F)c2cc(C#CC3(O)CCC3)ncc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 10/20 0.50
▸ CHUK O15111 6/20 0.49
▸ DYRK1A Q13627 1/20 0.35
▸ PAK4 O96013 2/20 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
▸ MAPKAPK2 P49137 1/20 0.34

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
SCHEMBL16205443 0.98 CHUK (0.51) MAP3K14CHUKDYRK1APAK4PAK1
SCHEMBL16205465 0.88 CHUK (0.50) MAP3K14CHUKPAK4PAK1PAK2
SCHEMBL18828143 0.85 MAP3K14 (0.52) MAP3K14CHUKDYRK1AMAPKAPK2
SCHEMBL16205438 0.84 CHUK (0.64) MAP3K14CHUK
SCHEMBL16205453 0.83 MAP3K14 (0.39) MAP3K14CHUKPAK4PAK1PAK2
SCHEMBL16205447 0.81 MAP3K14 (0.74) MAP3K14CHUK
SCHEMBL16205659 0.80 CHUK (0.63) MAP3K14CHUK
SCHEMBL1612933 0.80 PAK4 (0.43) MAP3K14CHUKDYRK1APAK4PAK1
SCHEMBL16205373 0.78 MAP3K14 (0.43) MAP3K14CHUKDYRK1AMAPKAPK2
SCHEMBL16205436 0.77 MAP3K14 (0.53) MAP3K14CHUKPAK4

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 3/4885CHUK 25/4885DYRK1A 1007/4885

“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.

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