SCHEMBL6138151

SCHEMBL6138151

CN(CCCN1CCOCC1)S(=O)(=O)c1cc(-c2nnc(O)o2)c(Nc2ccc(I)cc2Cl)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.36
ABL1 P00519 2/20 0.36
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
MAP2K1 Q02750 2/20 0.33
BRD4 O60885 1/20 0.32
EGFR P00533 1/20 0.32
FYN P06241 1/20 0.32
MAP2K2 P36507 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL6138190 0.74 IDO1 (0.35) KMT2AMEN1MAP2K1MAP2K2ALDH1A1
SCHEMBL6137990 0.73 KMT2A (0.34) CNR1CNR2PDK1PDK2PDK3
SCHEMBL6138223 0.72 CHRNA7 (0.35) SRCABL1KMT2AMEN1KDM4E
SCHEMBL6267364 0.70 CNR1 (0.49) SRCABL1CNR1CNR2PDK1
SCHEMBL6260542 0.69 MAP2K1 (0.44) KMT2AMEN1MAP2K1EGFRMAP2K2
SCHEMBL6137970 0.69 MAP2K1 (0.41) SRCMAP2K1MAP2K2
SCHEMBL6267585 0.68 MAP2K1 (0.48) SRCABL1MAP2K1MAP2K2ALDH1A1
SCHEMBL7121546 0.68 MAP2K1 (0.45) SRCABL1KMT2AMEN1MAP2K1
SCHEMBL6138004 0.68 MAP2K1 (0.41) SRCMAP2K1MAP2K2CA12CA1
SCHEMBL6262478 0.67 CNR1 (0.48) CNR1CNR2PDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144394-B1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER LAMBERT CO (US) 2005-08-24 EP disclosed
US-6545030-B1 Treating proliferative diseases, the sequelae of a stroke or heart failure, xenograft rejection, osteoarthritis, HIV, rheumatoid arthritis, cystic fibrosis, hepatomegaly, shock,cardiomegaly, Alzheimer's disease, diabetes WARNER-LAMBERT COMPANY 2003-04-08 US disclosed
US-20030004193-A1 1-Heterocycle substituted diarylamines BARRETT STEPHEN DOUGLAS (US) 2003-01-02 US disclosed
EP-1202732-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP disclosed
EP-1144394-A1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2001005391-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2000042029-A1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER-LAMBERT COMPANY (US) 2000-07-20 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 (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-20030004193-A1 1-Heterocycle substituted diarylamines IDH3A, CCNA1, HCCS SRC 1683/4885ABL1 16/4885CNR1 163/4885

“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.