SCHEMBL4332409

SCHEMBL4332409

Cc1c2nc(-c3nnc(N)o3)c(Nc3ccc(Br)cc3F)c(F)c2nn1C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 14/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 1/20 0.37
NMT1 P30419 1/20 0.36
MAP2K2 P36507 2/20 0.35
ABCB11 O95342 1/20 0.35
NQO2 P16083 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.34
DGAT1 O75907 1/20 0.32

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
SCHEMBL4324504 0.81 MAP2K1 (0.44) MAP2K1MAP2K2ABCB11NQO2MAPK1
SCHEMBL4333523 0.80 MAP2K1 (0.34) MAP2K1TP53MAPTMAP2K2ABCB11
SCHEMBL4327409 0.75 MAP2K1 (0.50) MAP2K1TP53MAPTNMT1MAP2K2
SCHEMBL4336107 0.73 DGAT1 (0.37) MAP2K1TP53MAPTMAP2K2MAPK1
SCHEMBL4337754 0.73 L3MBTL1 (0.45) MAP2K1TP53MAPTNMT1MAP2K2
SCHEMBL6205792 0.71 MAP2K1 (0.43) MAP2K1TP53MAPTMAP2K2DGAT1
SCHEMBL391367 0.71 MAP2K1 (0.59) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL394009 0.70 MAP2K1 (0.55) MAP2K1MAP2K2
SCHEMBL3424014 0.69 DGAT1 (0.34) MAP2K1MAP2K2ABCB11NQO2DGAT1
SCHEMBL4321814 0.68 MAP2K1 (0.49) MAP2K1TP53MAPTMAP2K2ABCB11

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
US-7576072-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-08-18 US disclosed
US-7576072-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-08-18 US disclosed
US-7576072-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-08-18 US disclosed
US-20050153942-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-07-14 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-20050153942-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 MAP2K1 77/4885TP53 213/4885MAPT 4825/4885

“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.