Sugi Predict

Sugi Predict / Compounds / SCHEMBL16205693

SCHEMBL16205693

SCHEMBL16205693

CC(C)(O)CCn1cc(-c2ccnc(N)n2)c2cc(Br)ncc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 7/20 0.53
▸ CHUK O15111 1/20 0.41
▸ TTBK1 Q5TCY1 4/20 0.41
▸ DYRK3 O43781 1/20 0.39
▸ DYRK2 Q92630 1/20 0.39
▸ PIKFYVE Q9Y2I7 1/20 0.36
▸ CDK5 Q00535 5/20 0.35
▸ CDK5R1 Q15078 5/20 0.35
▸ CCNB2 O95067 3/20 0.35
▸ CDK1 P06493 3/20 0.35
▸ CCNB1 P14635 3/20 0.35
▸ PRKACA P17612 3/20 0.35
▸ PRKACG P22612 3/20 0.35
▸ PRKACB P22694 3/20 0.35
▸ GSK3B P49841 3/20 0.35
▸ CCNB3 Q8WWL7 3/20 0.35
▸ CCNT1 O60563 2/20 0.35
▸ CCNA2 P20248 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CDK9 P50750 2/20 0.35

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
SCHEMBL16205506 0.90 DYRK1A (0.50) DYRK1ACHUKTTBK1DYRK3DYRK2
SCHEMBL16205501 0.86 DYRK1A (0.55) DYRK1ATTBK1DYRK3DYRK2CDK5
SCHEMBL16205669 0.84 TTBK1 (0.62) DYRK1ACHUKTTBK1MAP3K14
SCHEMBL16205705 0.83 DYRK1A (0.55) DYRK1ADYRK3DYRK2CDK5CDK5R1
SCHEMBL16205505 0.83 DYRK1A (0.76) DYRK1ACHUKDYRK3DYRK2CDK5
SCHEMBL16205541 0.83 DYRK1A (0.54) DYRK1ADYRK3DYRK2CDK5CDK5R1
SCHEMBL16205694 0.82 DYRK1A (0.67) DYRK1ACHUKDYRK3DYRK2CDK5
SCHEMBL16205582 0.81 DYRK1A (0.53) DYRK1ATTBK1DYRK3DYRK2CDK5
SCHEMBL16205539 0.81 DYRK1A (0.51) DYRK1ATTBK1DYRK3DYRK2CDK5
SCHEMBL16205510 0.81 DYRK1A (0.51) DYRK1ATTBK1DYRK3DYRK2CDK5

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 25/4885TTBK1 485/4885

“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.