SCHEMBL19626237

SCHEMBL19626237

CCn1cc(-c2cn(COCC[Si](C)(C)C)nc2C)c2cc(Br)ccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
DGAT1 O75907 3/20 0.38
DYRK1A Q13627 2/20 0.36
IDO1 P14902 2/20 0.34
CYP19A1 P11511 5/20 0.34
ABCC2 Q92887 1/20 0.34
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
RXFP1 Q9HBX9 1/20 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 2/20 0.33
QPCT Q16769 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 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
SCHEMBL19626243 0.87 DGAT1 (0.44) LMNADGAT1DYRK1AIDO1CYP19A1
SCHEMBL19629501 0.87 LMNA (0.41) LMNADYRK1AIDO1CYP19A1ABCC2
SCHEMBL16608608 0.84 DGAT1 (0.41) DGAT1CA12CA9
SCHEMBL19626262 0.81 DYRK1A (0.38) LMNADGAT1DYRK1ACYP19A1ABCC2
SCHEMBL19626289 0.80 CHUK (0.41) CA12CA1CA2CA9
SCHEMBL19629504 0.74 LMNA (0.37) LMNADGAT1DYRK1AIDO1CYP19A1
SCHEMBL16608665 0.74 CHUK (0.59)
SCHEMBL16608396 0.73 DGAT1 (0.38) DGAT1CA12CA2CA9
SCHEMBL19626258 0.73 DGAT1 (0.34) DGAT1
SCHEMBL4312796 0.73 DGAT1 (0.43) LMNADGAT1DYRK1ANPC1

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 LMNA 2591/4885DGAT1 2063/4885DYRK1A 1349/4885

“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.