SCHEMBL19629501

SCHEMBL19629501

CCn1cc(-c2cn(COCCS(C)(C)C)nc2C)c2cc(Br)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
DYRK1A Q13627 2/20 0.36
CYP19A1 P11511 6/20 0.33
IDO1 P14902 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
GSK3B P49841 4/20 0.33
QPCT Q16769 4/20 0.33
CYP2C19 P33261 1/20 0.32
ABCC2 Q92887 1/20 0.32
ELANE P08246 1/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL19629504 0.87 LMNA (0.37) LMNADYRK1ACYP19A1IDO1GSK3B
SCHEMBL19626237 0.87 LMNA (0.42) LMNADYRK1ACYP19A1IDO1CA12
SCHEMBL20193234 0.85 CHUK (0.35) CA12CA9
SCHEMBL19629553 0.82 DYRK1A (0.38) LMNADYRK1ACYP19A1IDO1GSK3B
SCHEMBL19629488 0.81 CHUK (0.42) CA12CA1CA2CA9
SCHEMBL20193230 0.74 CHUK (0.61)
SCHEMBL20193220 0.74 CHUK (0.32) CA12CA9
SCHEMBL19626243 0.74 DGAT1 (0.44) LMNADYRK1ACYP19A1IDO1GSK3B
SCHEMBL19629486 0.73
SCHEMBL19629511 0.72 DYRK1A (0.39) DYRK1AIDO1GSK3BQPCT

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 LMNA 2591/4885DYRK1A 1349/4885CYP19A1 1164/4885

“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.