SCHEMBL6139021

SCHEMBL6139021

NS(=O)(=O)c1cc(-n2nn[nH]c2=O)c(Nc2ccc(I)cc2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 2/20 0.36
LMNA P02545 1/20 0.31
TET2 Q6N021 1/20 0.31
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA12 O43570 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA13 Q8N1Q1 1/20 0.30
CA14 Q9ULX7 1/20 0.30
APP P05067 1/20 0.30
CDK1 P06493 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL6138060 0.86 MAP2K1 (0.34) CA1CA2CA12CA9
SCHEMBL6138007 0.86 MAP2K1 (0.33) CA2
SCHEMBL6137854 0.78 SOS1 (0.30) SOS1CA1CA2CA12CA4
SCHEMBL6138090 0.77 SOS1 (0.36) SOS1LMNATET2CA1CA2
SCHEMBL6137893 0.75 MAP2K1 (0.35) SOS1
SCHEMBL6137769 0.73 MEN1 (0.37)
SCHEMBL6137969 0.73 MAP2K1 (0.38) CA1CA2CA9
SCHEMBL6137749 0.71 SOS1 (0.36) SOS1LMNATET2CA1CA2
SCHEMBL6137904 0.69 SOS1 (0.38) SOS1LMNATET2CA1CA2
SCHEMBL6138005 0.69 IDO1 (0.35)

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 SOS1 443/4885LMNA 311/4885TET2 325/4885

“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.