SCHEMBL13613786

SCHEMBL13613786

Cc1ccc(Nc2cc(=O)n3c(c2C(=O)O)CCC3)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 12/20 0.53
MAP2K2 P36507 4/20 0.48
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13148458 0.97 MAP2K1 (0.50) MAP2K1MAP2K2KDM4EKMT2AMEN1
SCHEMBL693328 0.86 MAP2K1 (0.69) MAP2K1MAP2K2
SCHEMBL694244 0.86 MAP2K1 (0.53) MAP2K1MAP2K2KMT2AALDH1A1LMNA
SCHEMBL697510 0.86 MAP2K1 (0.53) MAP2K1KMT2AMEN1ALDH1A1
SCHEMBL697699 0.84 MAP2K1 (0.52) MAP2K1MAP2K2KDM4EKMT2AMEN1
SCHEMBL13148370 0.84 MAP2K1 (0.59) MAP2K1MAP2K2
SCHEMBL13148456 0.84 MAP2K1 (0.55) MAP2K1MAP2K2KDM4EKMT2AMEN1
SCHEMBL693420 0.83 MAP2K1 (0.50) MAP2K1MAP2K2KMT2AALDH1A1LMNA
SCHEMBL692982 0.81 ALDH1A1 (0.43) MAP2K1MAP2K2KDM4EKMT2AMEN1
SCHEMBL13148371 0.79 MAP2K1 (0.52) MAP2K1MAP2K2ALDH1A1

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 38/4885KDM4E 973/4885

“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.