SCHEMBL6138150

SCHEMBL6138150

Nc1nnc(-c2cc(S(N)(=O)=O)c(F)c(F)c2Nc2ccc(I)cc2Cl)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.39
CA1 P00915 7/20 0.38
CA2 P00918 7/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MGAM O43451 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX5AP P20292 3/20 0.34
FEN1 P39748 3/20 0.34
RAF1 P04049 1/20 0.34
PDGFRB P09619 1/20 0.34
CSNK2A2 P19784 1/20 0.34
MAP2K2 P36507 1/20 0.34

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
SCHEMBL6137868 0.89 MAP2K1 (0.41) MAP2K1CA1CA2CA12CA9
SCHEMBL6137866 0.88 ALOX5AP (0.36) MAP2K1CA1CA2CA12CA9
SCHEMBL6137773 0.85 CA2 (0.38) MAP2K1CA1CA2CA12CA9
SCHEMBL6138011 0.80 MAP2K1 (0.39) MAP2K1CA1CA2CA9RAF1
SCHEMBL6138004 0.80 MAP2K1 (0.41) MAP2K1CA1CA2CA12CA9
SCHEMBL6137901 0.80 MAP2K1 (0.39) MAP2K1CA1CA2CA9RAF1
SCHEMBL6137907 0.78 MAP2K1 (0.39) MAP2K1CA1CA2CA9RAF1
SCHEMBL6137945 0.78 MAP2K1 (0.39) MAP2K1CA1CA2CA9RAF1
SCHEMBL6138066 0.78 MAP2K1 (0.41) MAP2K1CA1CA2CA12CA9
SCHEMBL6137832 0.78 MAP2K1 (0.41) MAP2K1CA1CA2CA9RAF1

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 MAP2K1 3800/4885CA1 842/4885CA2 3273/4885

“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.