SCHEMBL13628630

SCHEMBL13628630

Bc1ccc(Nc2c(N)c3n(c(=O)c2F)CCC3)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.48
MAP2K2 P36507 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL3722460 0.86 MAP2K1 (0.63) MAP2K1MAP2K2
SCHEMBL697857 0.86 MAP2K1 (0.48) MAP2K1MAP2K2
SCHEMBL13148418 0.84 MAP2K1 (0.55) MAP2K1MAP2K2
SCHEMBL13628977 0.83 MAP2K1 (0.47) MAP2K1MAP2K2NPC1RAB9A
SCHEMBL3794238 0.76 MAP2K1 (0.64) MAP2K1MAP2K2
SCHEMBL3793338 0.76 MAP2K1 (0.50) MAP2K1
SCHEMBL13148419 0.75 MAP2K1 (0.56) MAP2K1
SCHEMBL13148417 0.73 MAP2K1 (0.43) MAP2K1
SCHEMBL13148380 0.72 MAP2K1 (0.51) MAP2K1
SCHEMBL696783 0.72 MAP2K1 (0.72) MAP2K1MAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 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-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NRAS, BRAF, MAP3K1 MAP2K1 48/4885MAP2K2 38/4885NPC1 2784/4885

“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.