SCHEMBL13613839

SCHEMBL13613839

BC(C)(C)n1c(=O)n(-c2ccc(Br)cc2F)c2c(F)c(=O)n3c(c21)CCC3

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.35
MAOB P27338 2/20 0.33
MAPT P10636 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL13148379 0.85 RXFP1 (0.36) RXFP1MAOBMAPTPDE3BPDE3A
SCHEMBL13628793 0.82 MAPT (0.35) RXFP1MAOBMAPTPDE3BPDE3A
SCHEMBL711027 0.81 USP30 (0.35) RXFP1MAPTPDE3BPDE3ASLC22A12
SCHEMBL696412 0.78 RXFP1 (0.33) RXFP1MAOBPDE3BPDE3AALOX15
SCHEMBL693391 0.74 MEN1 (0.35) RXFP1MAOBMAPTPDE3BPDE3A
SCHEMBL13148515 0.72 MAP2K1 (0.30)
SCHEMBL693627 0.72 MAOB (0.30) MAOB
SCHEMBL696579 0.70 RXFP1 (0.34) RXFP1MAOBMAPTPDE3BPDE3A
SCHEMBL13613836 0.70 MAP2K1 (0.45)
SCHEMBL692885 0.69 RXFP1 (0.35) RXFP1MAOBMAPTSLC22A12ALOX15

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 RXFP1 4597/4885MAOB 2224/4885MAPT 3907/4885

“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.