SCHEMBL19626264

SCHEMBL19626264

Cn1cc(-c2cnn(COCC[Si](C)(C)C)c2)c2cc(Br)ccc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.37
DYRK1A Q13627 1/20 0.37
DGAT1 O75907 3/20 0.36
GSK3B P49841 8/20 0.36
CDK2 P24941 2/20 0.36
KCNH2 Q12809 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 1/20 0.34
CCND3 P30281 1/20 0.34
CDK9 P50750 1/20 0.34
CDK3 Q00526 1/20 0.34
CDK6 Q00534 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 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
SCHEMBL19626269 0.89 GSK3B (0.40) DYRK1ADGAT1GSK3BKCNH2
SCHEMBL19626271 0.89 DYRK1A (0.50) DYRK1ADGAT1GSK3B
SCHEMBL19626262 0.88 DYRK1A (0.38) DYRK1ADGAT1GSK3B
SCHEMBL19626276 0.87 PDE4B (0.42) DYRK1ADGAT1GSK3BKCNH2
SCHEMBL19629554 0.86 PDK1 (0.37) PDK1DYRK1AGSK3BKCNH2CDK9
SCHEMBL16608588 0.85 DGAT1 (0.40) DGAT1
SCHEMBL19626263 0.84 CHUK (0.36) DYRK1ADGAT1GSK3B
SCHEMBL19626272 0.83 CHUK (0.37) DYRK1ADGAT1GSK3BKCNH2
SCHEMBL19626284 0.81 L3MBTL1 (0.41) GSK3B
SCHEMBL19629547 0.80 PIM1 (0.46) PDK1GSK3BCDK1CCNB1CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981962-B2 Pyrazole derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 US disclosed
US-20170334900-A1 NEW PYRAZOLE DERIVATIVES AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2017-11-23 US disclosed
US-20170334900-A1 NEW PYRAZOLE DERIVATIVES AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2017-11-23 US 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-20170334900-A1 NEW PYRAZOLE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K21 PDK1 47/4885DYRK1A 1349/4885DGAT1 2063/4885

“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.