SCHEMBL265834

SCHEMBL265834

CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N)nc3N)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.51
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
GSK3B P49841 1/20 0.51
DHFR P00374 1/20 0.48
POLB P06746 2/20 0.47
PIK3CD O00329 3/20 0.46
PIK3CA P42336 3/20 0.46
PIK3CG P48736 3/20 0.46
PIK3CB P42338 2/20 0.46
KCNH2 Q12809 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
BRD4 O60885 1/20 0.44
PKM P14618 1/20 0.44
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43

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
SCHEMBL264497 0.88 NPSR1 (0.51) DHFRTSHRSMN1; SMN2MAPK1LMNA
Trifluoroacetic Acid SCHEMBL14634475 0.81 TSHR (0.46) DHFRPIK3CATSHRSMN1; SMN2MAPK1
SCHEMBL28809367 0.79 DHFR (0.58) GSK3BDHFR
SCHEMBL4112370 0.77 IRAK4 (0.51) POLBPIK3CDPIK3CAPIK3CGSMN1; SMN2
SCHEMBL30995670 0.75 ALDH1A1 (0.47) TSHRSMN1; SMN2MAPK1BRD4ALOX5AP
Pyrrolidine SCHEMBL28949357 0.74 DHFR (0.52) DHFRTSHR
SCHEMBL3638316 0.73 FEN1 (0.48) CCNE2CCNE1CDK2GSK3BDHFR
SCHEMBL266849 0.73 PKM (0.67) POLBTSHRSMN1; SMN2MAPK1LMNA
SCHEMBL6224554 0.73 PKM (0.67) POLBTSHRSMN1; SMN2MAPK1LMNA
SCHEMBL3642925 0.73 FEN1 (0.48) CCNE2CCNE1CDK2GSK3BPIK3CA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 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-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 CCNE2 1041/4885CCNE1 954/4885CDK2 14/4885

“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.