SCHEMBL6137503

SCHEMBL6137503

Cc1cc(I)ccc1Nc1cc(F)ccc1-c1cnn(C)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.37
GAA P10253 1/20 0.37
TNIK Q9UKE5 2/20 0.35
HTT P42858 1/20 0.33
PTK2 Q05397 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAP2K1 Q02750 3/20 0.32
MAP2K2 P36507 2/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
PIK3CA P42336 1/20 0.31
PRKDC P78527 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
MEN1 O00255 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
SCHEMBL6137789 0.84 IDO1 (0.36) IDO1TNIKHTTRXFP1MAP2K1
SCHEMBL6137950 0.83 MAP2K1 (0.40) MAP2K1MAP2K2MAPK1MEN1KMT2A
SCHEMBL6138057 0.81 MEN1 (0.43) IDO1TNIKMAP2K1MAP2K2MAPK1
SCHEMBL6137976 0.80 IDO1 (0.34) IDO1MAP2K1MAP2K2MAPK1MEN1
SCHEMBL6137754 0.80 IDO1 (0.34) IDO1GAAMAP2K1MAP2K2MEN1
SCHEMBL6137778 0.80 IDO1 (0.38) IDO1TNIKHTTMAP2K1MAP2K2
SCHEMBL6137912 0.79 MEN1 (0.36) IDO1GAATNIKHTTPTK2
SCHEMBL6137910 0.76 IDO1 (0.41) IDO1GAATNIKHTTPTK2
SCHEMBL6138135 0.75 IDO1 (0.38) IDO1TNIKHTTPTK2RXFP1
SCHEMBL6137805 0.75 IDO1 (0.38) IDO1TNIKHTTMAP2K1MKNK2

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 244/4885GAA 4414/4885TNIK 2459/4885

“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.