Sugi Predict

Sugi Predict / Compounds / SCHEMBL16205694

SCHEMBL16205694

SCHEMBL16205694

COCCCn1cc(-c2ccnc(N)n2)c2cc(Br)ncc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 6/20 0.67
▸ GSK3B P49841 6/20 0.41
▸ MAPKAPK2 P49137 1/20 0.40
▸ CHUK O15111 1/20 0.39
▸ MAP3K14 Q99558 3/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38
▸ CDK5 Q00535 4/20 0.38
▸ CDK5R1 Q15078 4/20 0.38
▸ CCNT1 O60563 2/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ NFATC1 O95644 1/20 0.37
▸ DYRK3 O43781 1/20 0.37
▸ DYRK2 Q92630 1/20 0.37
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ CCNB2 O95067 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 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
SCHEMBL16205505 0.94 DYRK1A (0.76) DYRK1AGSK3BCHUKMKNK1MKNK2
SCHEMBL16205541 0.87 DYRK1A (0.54) DYRK1AGSK3BMAPKAPK2MAP3K14MKNK2
SCHEMBL16205374 0.86 DYRK1A (0.48) DYRK1AGSK3BMAPKAPK2CHUKMAP3K14
SCHEMBL16205501 0.84 DYRK1A (0.55) DYRK1AGSK3BMAP3K14CDK5CDK5R1
SCHEMBL16205705 0.83 DYRK1A (0.55) DYRK1AGSK3BMAP3K14CDK5CDK5R1
SCHEMBL16205618 0.82 DYRK1A (0.49) DYRK1ACDK5CDK5R1CCNT1CDK9
SCHEMBL16205693 0.82 DYRK1A (0.53) DYRK1AGSK3BCHUKMAP3K14CDK5
SCHEMBL16205375 0.82 MAP3K14 (0.44) DYRK1AGSK3BMAPKAPK2CHUKMAP3K14
SCHEMBL16205582 0.81 DYRK1A (0.53) DYRK1AGSK3BMAP3K14CDK5CDK5R1
SCHEMBL16205373 0.81 MAP3K14 (0.43) DYRK1AGSK3BMAPKAPK2CHUKMAP3K14

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 1007/4885GSK3B 473/4885MAPKAPK2 34/4885

“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.