SCHEMBL1904091

SCHEMBL1904091

CSc1ncc2c(Br)c(-c3ccc(C4(NC(=O)O)CCC4)cc3)oc2n1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
TACR3 P29371 2/20 0.32
NTRK1 P04629 1/20 0.32
MAPK1 P28482 1/20 0.32
PDE2A O00408 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
RXFP1 Q9HBX9 2/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL1908151 0.87 TACR3 (0.37) MEN1KMT2ATACR3NTRK1PDE2A
SCHEMBL1902064 0.80 SCN9A (0.34) TACR3NTRK1PDE2AHDAC3HDAC1
SCHEMBL1905401 0.74 TACR3 (0.36) TACR3PDE2A
SCHEMBL1905448 0.73 TACR3 (0.38) TACR3MAPK1PDE2AHDAC3HDAC1
SCHEMBL14118444 0.72 CHEK1 (0.37) TACR3PDE2A
SCHEMBL1902380 0.72 EGFR (0.38) MEN1KMT2ATACR3PDE2A
SCHEMBL1907935 0.72 PDE2A (0.39) TACR3PDE2A
SCHEMBL1904052 0.72 EGFR (0.37) TACR3PDE2A
SCHEMBL1903130 0.71 TACR3 (0.34) TACR3MAPK1PDE2AHDAC3HDAC1
SCHEMBL1902848 0.71 TACR3 (0.37) TACR3MAPK1PDE2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309739-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2012-12-06 US disclosed
EP-2496566-A1 AKT / PKB INHIBITORS Almac Discovery Limited (GB) 2012-09-12 EP disclosed
WO-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 WO 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-20120309739-A1 AKT / PKB INHIBITORS AKT1, AKT2, AKT3 MEN1 1472/4885KMT2A 2565/4885ERAP1 1487/4885

“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.