SCHEMBL8280862

SCHEMBL8280862

CN(C)C1CCN(S(C)(=O)=O)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TP53 P04637 1/20 0.39
HSD11B1 P28845 1/20 0.39
NPY5R Q15761 4/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 1/20 0.36
PGR P06401 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2D6 P10635 2/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8280875 1.00 JAK2 (0.44) JAK2JAK1TP53HSD11B1NPY5R
SCHEMBL8282088 1.00 JAK2 (0.44) JAK2JAK1TP53HSD11B1NPY5R
SCHEMBL2743286 0.88 KMT2A (0.46) JAK2JAK1TSHRKMT2AALDH1A1
SCHEMBL15142806 0.87 TP53 (0.46) TP53NPY5RTSHRSMN1; SMN2
SCHEMBL771957 0.82 JAK2 (0.41) JAK2JAK1TP53NPY5RTSHR
SCHEMBL8422637 0.81 KMT2A (0.41) JAK2JAK1TP53NPY5RTSHR
SCHEMBL12227443 0.81 JAK2 (0.40) JAK2JAK1TP53NPY5RTSHR
SCHEMBL8238338 0.81 JAK2 (0.40) JAK2JAK1TP53NPY5RTSHR
SCHEMBL12227449 0.81 JAK2 (0.40) JAK2JAK1TP53NPY5RTSHR
SCHEMBL771958 0.81 ADH1C (0.42) JAK2JAK1TP53NPY5RTSHR

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-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US disclosed
WO-2005080389-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2005-09-01 WO 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 (2 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-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK JAK2 1160/4885JAK1 353/4885TP53 47/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB JAK2 458/4885JAK1 100/4885TP53 202/4885

“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.