SCHEMBL6206494

SCHEMBL6206494

CCN(CC)C1CCN(c2nnc(-c3ccc(F)c(F)c3Nc3ccc(I)cc3F)o2)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 19/20 0.38
MAP2K1 Q02750 19/20 0.38
PIM1 P11309 1/20 0.33
CAMK2B Q13554 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
BRAF P15056 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
ACTR3 P61158 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 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
SCHEMBL6401090 0.85 MAP2K1 (0.48) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL6406131 0.83 MAP2K1 (0.47) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL6401156 0.82 MAP2K1 (0.42) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL6187710 0.81 MAP2K1 (0.41) MAP2K2MAP2K1BRAF
SCHEMBL6398237 0.78 MAP2K2 (0.46) MAP2K2MAP2K1KCNH2
SCHEMBL6207744 0.77 KCNH2 (0.41) MAP2K2MAP2K1PIM1CAMK2BBRAF
SCHEMBL6207402 0.75 AVPR1A (0.33)
SCHEMBL6185655 0.74 MAP2K1 (0.48) MAP2K2MAP2K1PIM1CAMK2BBRAF
SCHEMBL6398408 0.74 MAP2K1 (0.41) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL6207211 0.74 BCHE (0.37) MAP2K2MAP2K1

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 MAP2K2 40/4885MAP2K1 46/4885PIM1 74/4885

“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.