SCHEMBL6207744

SCHEMBL6207744

COCCN1CCN(c2nnc(-c3ccc(F)c(F)c3Nc3ccc(I)cc3F)o2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41
MAP2K1 Q02750 18/20 0.41
MAP2K2 P36507 16/20 0.41
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PIM1 P11309 1/20 0.39
CAMK2B Q13554 1/20 0.39
BRAF P15056 1/20 0.37
MAPK1 P28482 1/20 0.37
MAP2K5 Q13163 1/20 0.37

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
SCHEMBL6398237 0.85 MAP2K2 (0.46) KCNH2SCN5AMAP2K1MAP2K2
SCHEMBL6406131 0.81 MAP2K1 (0.47) KCNH2MAP2K1MAP2K2BRAF
SCHEMBL6401156 0.80 MAP2K1 (0.42) KCNH2MAP2K1MAP2K2BRAFMAPK1
SCHEMBL6187710 0.79 MAP2K1 (0.41) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL6404616 0.78 BCHE (0.37) MAP2K1MAP2K2
SCHEMBL6207836 0.78 CHRNA7 (0.46) KCNH2MAP2K1MAP2K2PIK3CDPIK3R1
SCHEMBL6208038 0.78 PIM1 (0.45) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL6401090 0.77 MAP2K1 (0.48) KCNH2MAP2K1MAP2K2BRAF
SCHEMBL6206922 0.77 BCHE (0.37) KCNH2SCN5AMAP2K1MAP2K2
SCHEMBL6403726 0.77 PIM1 (0.42) MAP2K1MAP2K2PIM1CAMK2BBRAF

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 4 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 claimed
US-20050004186-A1 MEK inhibiting compounds PFIZER INC 2005-01-06 US claimed
WO-2004056789-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL PHENYLAMINE DERIVATES WARNER-LAMBERT COMPANY LLC (US) 2004-07-08 WO claimed
US-20050004186-A1 MEK inhibiting compounds PFIZER INC 2005-01-06 US 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 KCNH2 3852/4885SCN5A 4475/4885MAP2K1 46/4885

“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.