SCHEMBL16205689

SCHEMBL16205689

Nc1ncc(F)c(-c2c[nH]c3cnc(Br)cc23)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 14/20 0.51
CDK5 Q00535 11/20 0.51
CDK5R1 Q15078 11/20 0.51
MAP3K14 Q99558 1/20 0.45
PDK1 Q15118 2/20 0.41
CCNB2 O95067 2/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
PRKACA P17612 2/20 0.40
PRKACG P22612 2/20 0.40
PRKACB P22694 2/20 0.40
GSK3B P49841 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
PDPK1 O15530 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
PIM1 P11309 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40

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
SCHEMBL16205500 0.84 CLK1 (0.51) CLK1CDK5CDK5R1MAP3K14CCNB2
SCHEMBL16205552 0.84 MAP3K14 (0.64) CLK1CDK5CDK5R1MAP3K14PDK1
SCHEMBL16205586 0.84 RPS6KA5 (0.39) CLK1CDK5CDK5R1MAP3K14PDK1
SCHEMBL16205354 0.84 CLK1 (0.48) CLK1CDK5CDK5R1MAP3K14CCNB2
SCHEMBL1612715 0.83 CLK1 (0.73) CLK1CDK5CDK5R1MAP3K14PDK1
SCHEMBL16205545 0.79 CLK1 (0.43) CLK1CDK5CDK5R1MAP3K14
SCHEMBL16205606 0.79 CLK1 (0.43) CLK1CDK5CDK5R1MAP3K14
SCHEMBL20691183 0.77 CLK1 (0.71) CLK1CDK5CDK5R1MAP3K14GSK3B
SCHEMBL21096557 0.76 CLK1 (0.46) CLK1CDK5CDK5R1MAP3K14PDK1
SCHEMBL16205623 0.76 CLK1 (0.41) CLK1CDK5CDK5R1MAP3K14

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209662-B1 NEW COMPOUNDS AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-09 EP disclosed
US-10005776-B2 Compounds as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 US disclosed
US-20170334906-A1 NEW COMPOUNDS AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2017-11-23 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
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 (2 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-10005776-B2 Compounds as NIK inhibitors MAP3K14, MAP3K15, MAP3K12 CLK1 222/4885CDK5 1006/4885CDK5R1 1075/4885
US-20170334906-A1 NEW COMPOUNDS AS NIK INHIBITORS MAP3K14, IKBKG, MAP3K15 CLK1 255/4885CDK5 962/4885CDK5R1 862/4885

“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.