SCHEMBL4344176

SCHEMBL4344176

COC(=O)c1nc2c(C)noc2c(F)c1Nc1ccc(Br)cc1F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 14/20 0.41
ABCB11 O95342 1/20 0.39
NQO2 P16083 1/20 0.39
MAP2K2 P36507 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 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
SCHEMBL1344228 0.90 MAP2K1 (0.45) MAP2K1ABCB11NQO2MAP2K2L3MBTL1
SCHEMBL4330906 0.89 MAP2K1 (0.42) MAP2K1ABCB11NQO2MAP2K2L3MBTL1
SCHEMBL4330258 0.85 BRD4 (0.40) NPC1RAB9AMAPT
SCHEMBL4335977 0.81 MAP2K1 (0.55) MAP2K1ABCB11NQO2MAP2K2
SCHEMBL4337754 0.78 L3MBTL1 (0.45) MAP2K1ABCB11NQO2MAP2K2L3MBTL1
SCHEMBL4332566 0.78 MAP2K1 (0.43) MAP2K1ABCB11NQO2MAP2K2NPC1
SCHEMBL4324520 0.75 MAP2K1 (0.46) MAP2K1ABCB11NQO2MAP2K2L3MBTL1
SCHEMBL1341935 0.74 BRD4 (0.34) MAP2K1MAPTTP53
SCHEMBL4330481 0.74 RAB9A (0.39) NPC1RAB9AMAPTTP53
SCHEMBL4326016 0.74 MAP2K1 (0.55) MAP2K1ABCB11NQO2MAP2K2

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-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 77/4885ABCB11 2169/4885NQO2 298/4885

“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.