SCHEMBL15051579

SCHEMBL15051579

CC(=O)Nc1cc(-c2cc(-c3ccccc3C)c(C(N)=O)n2C)ccn1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.48
PIK3C3 Q8NEB9 12/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
GSK3B P49841 1/20 0.41

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
SCHEMBL15051361 0.80 NR3C2 (0.42) NR3C2PIK3C3MAPK8MAPK9MAPK10
SCHEMBL15051550 0.79 MAPK10 (0.43) NR3C2PIK3C3MAPK8MAPK9MAPK10
SCHEMBL15051461 0.77 GSK3B (0.45) NR3C2PIK3C3MAPK8MAPK9MAPK10
SCHEMBL15051271 0.74 MAPK14 (0.48) NR3C2PIK3C3MAPK10GSK3B
SCHEMBL15051020 0.73 PIK3C3 (0.47) NR3C2PIK3C3GSK3B
SCHEMBL25594662 0.72 RAF1 (0.45) NR3C2PIK3C3
SCHEMBL25700262 0.68 PIK3C3 (0.41) NR3C2PIK3C3MAPK10
SCHEMBL15051156 0.67 PIK3C3 (0.42) PIK3C3MAPK8MAPK9MAPK10GSK3B
SCHEMBL19706556 0.66 PIK3C3 (0.53) PIK3C3GSK3B
SCHEMBL15051225 0.66 NR3C2 (0.47) NR3C2PIK3C3GSK3B

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-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US claimed
WO-2013096637-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 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-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B NR3C2 3161/4885PIK3C3 143/4885MAPK8 543/4885

“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.