SCHEMBL6137786

SCHEMBL6137786

Cc1cc(I)ccc1Nc1c(-c2nnco2)ccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.43
MAP2K1 Q02750 8/20 0.41
MAP2K2 P36507 7/20 0.41
IDO1 P14902 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
PPARG P37231 1/20 0.35
P2RX7 Q99572 2/20 0.33
PIM1 P11309 1/20 0.33
CAMK2B Q13554 1/20 0.33

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
SCHEMBL6401659 0.90 MAP2K1 (0.52) NOTUMMAP2K1MAP2K2IDO1MAPK1
SCHEMBL6137711 0.81 MAP2K1 (0.40) MAP2K1MAP2K2IDO1MEN1KMT2A
SCHEMBL6137781 0.81 MAP2K1 (0.43) MAP2K1MAP2K2IDO1MEN1KMT2A
SCHEMBL6137572 0.81 MAP2K1 (0.40) MAP2K1MAP2K2IDO1MEN1KMT2A
SCHEMBL6137791 0.75 MAP2K1 (0.41) MAP2K1MAP2K2IDO1MEN1KMT2A
SCHEMBL6137886 0.75 MAP2K1 (0.39) MAP2K1MAP2K2IDO1MEN1KMT2A
SCHEMBL6137953 0.75 MAP2K1 (0.41) MAP2K1MAP2K2IDO1MEN1KMT2A
SCHEMBL6137793 0.74 MAP2K1 (0.38) MAP2K1MAP2K2IDO1MEN1KMT2A
SCHEMBL6137852 0.74 MAP2K1 (0.40) MAP2K1MAP2K2IDO1MEN1KMT2A
SCHEMBL6137905 0.74 KDM4E (0.40) MAP2K1MAP2K2MEN1KMT2ATDP1

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 NOTUM 4168/4885MAP2K1 3800/4885MAP2K2 3505/4885

“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.