SCHEMBL6137942

SCHEMBL6137942

Cc1cc(I)ccc1Nc1c(-c2nnc(S)o2)cc(S(N)(=O)=O)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 7/20 0.34
CA2 P00918 7/20 0.34
CA12 O43570 6/20 0.34
CA9 Q16790 6/20 0.34
MAOB P27338 1/20 0.32
AURKA O14965 1/20 0.31
TNFRSF1A P19438 1/20 0.31
KDR P35968 1/20 0.31
MAP3K9 P80192 1/20 0.31
MAPK1 P28482 1/20 0.30
MAP2K1 Q02750 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
SCHEMBL6137573 0.89 MEN1 (0.36) IDO1MEN1KMT2ATDP1CA1
SCHEMBL6138066 0.89 MAP2K1 (0.41) CA1CA2CA12CA9MAOB
SCHEMBL6137948 0.85 IDO1 (0.39) IDO1MEN1KMT2ATDP1CA1
SCHEMBL6137797 0.85 IDO1 (0.37) IDO1MEN1KMT2ATDP1MAPK1
SCHEMBL6137531 0.85 MEN1 (0.41) IDO1MEN1KMT2ATDP1AURKA
SCHEMBL6137693 0.82 MEN1 (0.36) IDO1MEN1KMT2ATDP1MAPK1
SCHEMBL6137711 0.81 MAP2K1 (0.40) IDO1MEN1KMT2ATDP1MAP2K1
SCHEMBL6137981 0.78 MEN1 (0.36) IDO1MEN1KMT2ATDP1MAPK1
SCHEMBL6137880 0.78 MEN1 (0.36) IDO1MEN1KMT2ATDP1MAPK1
SCHEMBL6138069 0.78 MEN1 (0.36) IDO1MEN1KMT2ATDP1CA1

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 IDO1 244/4885MEN1 114/4885KMT2A 467/4885

“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.