SCHEMBL6399412

SCHEMBL6399412

CN1CCCC1CCNc1nnc(-c2ccc(F)c(F)c2Nc2ccc(I)cc2F)o1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 8/20 0.41
MAP2K2 P36507 7/20 0.39
CHRNA7 P36544 6/20 0.36
KCNH2 Q12809 6/20 0.36
PIM1 P11309 1/20 0.36
CAMK2B Q13554 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
GFER P55789 1/20 0.35
MITF O75030 1/20 0.35
RAD52 P43351 1/20 0.35

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
SCHEMBL6205441 0.83 CHRNA7 (0.46) MAP2K1MAP2K2CHRNA7KCNH2
SCHEMBL6399647 0.82 CHRNA7 (0.48) MAP2K1MAP2K2CHRNA7KCNH2
SCHEMBL6187892 0.82 MAP2K1 (0.45) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL21067809 0.81 MAP2K1 (0.46) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL6208038 0.81 PIM1 (0.45) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL6398520 0.81 PIM1 (0.46) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL6207045 0.81 MAP2K2 (0.47) MAP2K1MAP2K2CHRNA7KCNH2
SCHEMBL29371646 0.81 MAP2K2 (0.47) MAP2K1MAP2K2CHRNA7KCNH2
SCHEMBL24758114 0.80 MAP2K1 (0.43) MAP2K1MAP2K2CHRNA7PIM1CAMK2B
SCHEMBL6399813 0.80 MAP2K1 (0.43) MAP2K1MAP2K2PIM1CAMK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004186-A1 MEK inhibiting compounds PFIZER INC 2005-01-06 US 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 MAP2K1 46/4885MAP2K2 40/4885CHRNA7 4667/4885

“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.