SCHEMBL6185889

SCHEMBL6185889

O=C(O)c1cc(-c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c1Nc1ccc(I)cc1F

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.67
MAP2K2 P36507 10/20 0.67
IDO1 P14902 1/20 0.56
AURKA O14965 4/20 0.53
TNFRSF1A P19438 4/20 0.53
SRC P12931 3/20 0.53
PRKCB P05771 1/20 0.53
STK3 Q13188 1/20 0.53
MAP3K9 P80192 3/20 0.52
KDR P35968 2/20 0.52
ABL1 P00519 2/20 0.48
LCK P06239 2/20 0.48
CLK1 P49759 2/20 0.48
FGFR1 P11362 1/20 0.48
EPHA2 P29317 1/20 0.48
BTK Q06187 1/20 0.48
BRAF P15056 1/20 0.46
MAPK1 P28482 1/20 0.46
MAP2K5 Q13163 1/20 0.46

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
SCHEMBL4860159 0.85 MAP2K1 (0.75) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL4861840 0.82 MAP2K1 (0.70) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL4860207 0.82 MAP2K1 (0.70) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL30505247 0.80 MAP2K1 (1.00) MAP2K1MAP2K2IDO1BRAFMAPK1
SCHEMBL29413559 0.80 MAP2K1 (1.00) MAP2K1MAP2K2IDO1BRAFMAPK1
SCHEMBL188505 0.80 MAP2K1 (1.00) MAP2K1MAP2K2IDO1BRAFMAPK1
SCHEMBL1562380 0.80 MAP2K1 (0.67) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL29425373 0.80 MAP2K1 (0.67) MAP2K1MAP2K2IDO1AURKATNFRSF1A
Hydrochloric Acid SCHEMBL30080174 0.79 MAP2K1 (0.97) MAP2K1MAP2K2IDO1BRAFMAPK1
SCHEMBL1562726 0.79 MAP2K1 (0.65) MAP2K1MAP2K2IDO1AURKATNFRSF1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578736-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL-PHENYLAMINE DERIVATIVES Warner-Lambert Company LLC (US) 2005-09-28 EP disclosed
US-20050004186-A1 MEK inhibiting compounds PFIZER INC 2005-01-06 US disclosed
WO-2004056789-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL PHENYLAMINE DERIVATES WARNER-LAMBERT COMPANY LLC (US) 2004-07-08 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-20050004186-A1 MEK inhibiting compounds MAPK1, MAP3K1, MAPK3 MAP2K1 46/4885MAP2K2 40/4885IDO1 208/4885

“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.