SCHEMBL15051550

SCHEMBL15051550

CC(=O)Nc1cc(-c2cc(-c3ccccc3C)c(-c3nc[nH]n3)n2C)ccn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 4/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
PIK3C3 Q8NEB9 9/20 0.40
NR3C2 P08235 1/20 0.40
MAPK14 Q16539 8/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAPK11 Q15759 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PIP5K1C O60331 1/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL15051579 0.79 NR3C2 (0.48) MAPK10MAPK8MAPK9PIK3C3NR3C2
SCHEMBL15051389 0.70 MAPK14 (0.37) MAPK10MAPK8MAPK9PIK3C3NR3C2
SCHEMBL15051461 0.68 GSK3B (0.45) MAPK10MAPK8MAPK9PIK3C3NR3C2
SCHEMBL15051271 0.68 MAPK14 (0.48) MAPK10PIK3C3NR3C2MAPK14MAPK13
SCHEMBL15051218 0.68 NR3C2 (0.50) MAPK10MAPK8MAPK9PIK3C3NR3C2
SCHEMBL15051877 0.67 ABL1 (0.36) PIK3C3MAPK14MAPK13MAPK12MAPK11
SCHEMBL15051361 0.67 NR3C2 (0.42) MAPK10MAPK8MAPK9PIK3C3NR3C2
SCHEMBL15051156 0.67 PIK3C3 (0.42) MAPK10MAPK8MAPK9PIK3C3MAPK14
SCHEMBL25594662 0.66 RAF1 (0.45) PIK3C3NR3C2
SCHEMBL15051121 0.66 JAK2 (0.41) MAPK10MAPK8MAPK9PIK3C3

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 5 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
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US 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 MAPK10 1815/4885MAPK8 543/4885MAPK9 908/4885

“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.