SCHEMBL3605652

SCHEMBL3605652

CCCn1nnnc1-c1cn(C)c(=O)c(C)c1Nc1ccc(Br)cc1F

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.53
MAP2K2 P36507 1/20 0.38
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL393114 0.89 MAP2K1 (0.48) MAP2K1MAP2K2HIF1ANPSR1RXFP1
SCHEMBL391996 0.78 MAP2K1 (0.53) MAP2K1MAP2K2ALOX15TSHR
SCHEMBL27883696 0.75 MAP2K1 (0.55) MAP2K1MAP2K2ALOX15TSHR
SCHEMBL394009 0.75 MAP2K1 (0.55) MAP2K1MAP2K2ALOX15TSHR
SCHEMBL391465 0.73 MAP2K1 (0.51) MAP2K1MAP2K2ALOX15TSHR
SCHEMBL387679 0.73 MAP2K1 (0.52) MAP2K1MAP2K2ALOX15TSHR
SCHEMBL392179 0.72 MAP2K1 (0.52) MAP2K1MAP2K2
SCHEMBL392342 0.72 MAP2K1 (0.47) MAP2K1MAP2K2ALOX15TSHR
SCHEMBL391162 0.71 MAP2K1 (0.81) MAP2K1MAP2K2
SCHEMBL392485 0.71 MAP2K1 (0.81) 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-20100063053-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-03-11 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-20100063053-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF NRAS, BRAF, MAPK9 MAP2K1 73/4885MAP2K2 63/4885HIF1A 1928/4885

“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.