SCHEMBL6138099

SCHEMBL6138099

Cc1cc(I)ccc1Nc1cc(F)ccc1-c1nnc(S)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.37
MKNK2 Q9HBH9 1/20 0.33
MAP2K1 Q02750 1/20 0.31
HTT P42858 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
TNIK Q9UKE5 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
SCHEMBL6137616 0.86 IDO1 (0.37) IDO1MKNK2MAP2K1HTTPIM1
SCHEMBL6138120 0.86 IDO1 (0.40) IDO1MKNK2MAP2K1HTTPIM1
SCHEMBL6138039 0.82 MAP2K1 (0.38) IDO1MAP2K1PIM1TNIK
SCHEMBL6137999 0.81 IDO1 (0.39) IDO1MKNK2MAP2K1HTTPIM1
SCHEMBL6138022 0.80 MEN1 (0.41) IDO1MAP2K1TNIK
SCHEMBL6137669 0.79 KMT2A (0.33) IDO1
SCHEMBL6138127 0.78 MEN1 (0.34) IDO1MAP2K1TNIK
SCHEMBL6138154 0.78 IDO1 (0.36) IDO1MKNK2MAP2K1HTT
SCHEMBL6137951 0.77 IDO1 (0.42) IDO1MAP2K1HTT
SCHEMBL6138135 0.73 IDO1 (0.38) IDO1MKNK2MAP2K1HTTTNIK

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 14 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
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
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
WO-2001005391-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 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 244/4885MKNK2 2780/4885MAP2K1 3800/4885

“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.