SCHEMBL6137778

SCHEMBL6137778

Cc1cc(I)ccc1Nc1cc(F)ccc1-c1cn(C)nc1O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
HTT P42858 1/20 0.36
MAP2K1 Q02750 8/20 0.34
MAP2K2 P36507 5/20 0.34
TNIK Q9UKE5 1/20 0.33
MAPK1 P28482 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32

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
SCHEMBL6137898 0.83 MAP2K1 (0.40) MAP2K1MAP2K2MAPK1
SCHEMBL6138072 0.81 IDO1 (0.35) IDO1HTTMAP2K1MAP2K2MAPK1
SCHEMBL6138016 0.81 MEN1 (0.43) IDO1MAP2K1MAP2K2TNIKMAPK1
SCHEMBL6137503 0.80 IDO1 (0.37) IDO1HTTMAP2K1MAP2K2TNIK
SCHEMBL6137910 0.80 IDO1 (0.41) IDO1HTTMAP2K1TNIKMAPK1
SCHEMBL6137962 0.79 MEN1 (0.36) IDO1MAP2K1MAP2K2TNIKMAPK1
SCHEMBL6137805 0.79 IDO1 (0.38) IDO1HTTMAP2K1TNIKMKNK2
SCHEMBL6137789 0.78 IDO1 (0.36) IDO1HTTMAP2K1MAP2K2TNIK
SCHEMBL6138135 0.76 IDO1 (0.38) IDO1HTTMAP2K1TNIKMKNK2
SCHEMBL6137761 0.76 IDO1 (0.40) IDO1HTTMAP2K1TNIKMKNK2

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 13 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
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
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 244/4885HTT 167/4885MAP2K1 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.