SCHEMBL19626262

SCHEMBL19626262

CCn1cc(-c2cnn(COCC[Si](C)(C)C)c2)c2cc(Br)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.38
LMNA P02545 1/20 0.38
DGAT1 O75907 3/20 0.37
GSK3B P49841 4/20 0.34
CYP19A1 P11511 6/20 0.34
ABCC2 Q92887 1/20 0.34
QPCT Q16769 3/20 0.33
CYP2C19 P33261 1/20 0.33
EGFR P00533 1/20 0.33
IGF1R P08069 1/20 0.33
SRC P12931 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
EPHB4 P54760 1/20 0.33
TEK Q02763 1/20 0.33
CREBBP Q92793 1/20 0.32
LRRK2 Q5S007 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32

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
SCHEMBL19626271 0.90 DYRK1A (0.50) DYRK1ADGAT1GSK3BQPCTEGFR
SCHEMBL19626269 0.90 GSK3B (0.40) DYRK1ADGAT1GSK3BQPCTEGFR
SCHEMBL19626264 0.88 PDK1 (0.37) DYRK1ADGAT1GSK3B
SCHEMBL19626263 0.87 CHUK (0.36) DYRK1ADGAT1GSK3BQPCT
SCHEMBL19629553 0.87 DYRK1A (0.38) DYRK1ALMNAGSK3BCYP19A1ABCC2
SCHEMBL19626276 0.86 PDE4B (0.42) DYRK1ADGAT1GSK3BCYP19A1
SCHEMBL19626272 0.86 CHUK (0.37) DYRK1ADGAT1GSK3BQPCTEGFR
SCHEMBL16608644 0.85 DGAT1 (0.41) DGAT1CREBBPLRRK2
SCHEMBL19626255 0.84 DGAT1 (0.36) DGAT1
SCHEMBL19626275 0.83 CNR2 (0.41) DYRK1ACYP2C19

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 DYRK1A 1349/4885LMNA 2591/4885DGAT1 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.