SCHEMBL19629554

SCHEMBL19629554

Cn1cc(-c2cnn(COCCS(C)(C)C)c2)c2cc(Br)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.37
DYRK1A Q13627 1/20 0.36
GSK3B P49841 5/20 0.34
KCNH2 Q12809 1/20 0.33
CREBBP Q92793 4/20 0.33
AURKA O14965 1/20 0.32
PAK4 O96013 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
IGF1R P08069 1/20 0.32
MET P08581 1/20 0.32
PDGFRB P09619 1/20 0.32
PIM1 P11309 1/20 0.32
FGFR1 P11362 1/20 0.32
PRKACA P17612 1/20 0.32
FLT3 P36888 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
SCHEMBL19629490 0.89 DYRK1A (0.49) DYRK1AGSK3BKCNH2
SCHEMBL19629511 0.89 DYRK1A (0.39) DYRK1AGSK3BKCNH2
SCHEMBL19629553 0.89 DYRK1A (0.38) DYRK1AGSK3BCREBBPLRRK2
SCHEMBL19629559 0.87 PDE4B (0.41) DYRK1AGSK3B
SCHEMBL19626264 0.86 PDK1 (0.37) PDK1DYRK1AGSK3BKCNH2CDK9
SCHEMBL20193179 0.85 CREBBP (0.32) GSK3BCREBBPAURKAPAK4ABL1
SCHEMBL19629510 0.84 CHUK (0.36) DYRK1AGSK3B
SCHEMBL19629512 0.82 L3MBTL1 (0.41) GSK3BPIM1LRRK2
SCHEMBL19629489 0.82 CHUK (0.36) DYRK1AGSK3BCREBBP
SCHEMBL19629548 0.80 PIM1 (0.43) PDK1GSK3BIGF1RPDGFRBPIM1

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 2 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

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 1349/4885GSK3B 476/4885

“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.