SCHEMBL6137789

SCHEMBL6137789

Cc1cc(I)ccc1Nc1cc(F)ccc1-c1nnn(C)c1O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35
HTT P42858 2/20 0.32
MAPK14 Q16539 1/20 0.32
TNIK Q9UKE5 1/20 0.32
MAP2K1 Q02750 6/20 0.31
MAP2K2 P36507 4/20 0.31
MAP2K5 Q13163 1/20 0.31
EIF2AK1 Q9BQI3 1/20 0.31
MKNK2 Q9HBH9 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL6137503 0.84 IDO1 (0.37) IDO1RXFP1HTTTNIKMAP2K1
SCHEMBL6137855 0.83 MAP2K1 (0.39) MAP2K1MAP2K2MAP2K5
SCHEMBL6137908 0.81 MEN1 (0.42) IDO1TNIKMAP2K1MAP2K2MAP2K5
SCHEMBL6137943 0.80 IDO1 (0.34) IDO1HTTMAP2K1MAP2K2MAPT
SCHEMBL6137878 0.79 MEN1 (0.35) IDO1TNIKMAP2K1MAP2K2
SCHEMBL6137778 0.78 IDO1 (0.38) IDO1HTTTNIKMAP2K1MAP2K2
SCHEMBL6138135 0.76 IDO1 (0.38) IDO1RXFP1HTTTNIKMAP2K1
SCHEMBL6138103 0.75 IDO1 (0.42) IDO1RXFP1HTTTNIKMAP2K1
SCHEMBL6138120 0.75 IDO1 (0.40) IDO1RXFP1HTTTNIKMAP2K1
SCHEMBL6137910 0.74 IDO1 (0.41) IDO1HTTTNIKMAP2K1MKNK2

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 19 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 claimed
JP-2003504399-A 2003-02-04 JP claimed
US-20030004193-A1 1-Heterocycle substituted diarylamines BARRETT STEPHEN DOUGLAS (US) 2003-01-02 US claimed
CN-1358095-A Methods of treating chronic pain using MEK inhibitors WARNER LAMBERT CO (US) 2002-07-10 CN claimed
EP-1202732-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP claimed
CN-1334807-A 1-heterocycle substd. diarylamines WARNER LAMBERT CO (US) 2002-02-06 CN claimed
EP-1144394-A1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER-LAMBERT COMPANY (US) 2001-10-17 EP claimed
WO-2001005391-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO claimed
WO-2000042029-A1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER-LAMBERT COMPANY (US) 2000-07-20 WO claimed
EP-1144394-B1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER LAMBERT CO (US) 2005-08-24 EP disclosed
CN-1149204-C 1-heterocyclic substituted diarylamines ��ʲ 2004-05-12 CN 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
CN-1358095-A Methods of treating chronic pain using MEK inhibitors WARNER LAMBERT CO (US) 2002-07-10 CN disclosed
EP-1202732-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP disclosed
CN-1334807-A 1-heterocycle substd. diarylamines WARNER LAMBERT CO (US) 2002-02-06 CN 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 244/4885RXFP1 4083/4885HTT 167/4885

“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.