SCHEMBL10288318

SCHEMBL10288318

CC(=O)Nc1cc(-c2nc(Cc3ccc4ccccc4c3)c(-c3nnc[nH]3)s2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 4/20 0.46
MAPK10 P53779 4/20 0.43
MAPK8 P45983 2/20 0.43
MAPK9 P45984 1/20 0.43
RIOK2 Q9BVS4 6/20 0.43
GSK3A P49840 4/20 0.43
HIPK1 Q86Z02 1/20 0.43
SNRK Q9NRH2 1/20 0.43
PIP5K1C O60331 1/20 0.39
PIK3CA P42336 1/20 0.39
MAPK14 Q16539 3/20 0.39
GSK3B P49841 3/20 0.38
AURKA O14965 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL16850488 0.91 GSK3B (0.44) PIK3C3GSK3APIP5K1CPIK3CAMAPK14
SCHEMBL10308567 0.89 MAPK14 (0.42) PIK3C3PIP5K1CPIK3CAMAPK14GSK3B
SCHEMBL627288 0.88 PIK3C3 (0.43) PIK3C3GSK3APIP5K1CPIK3CAMAPK14
SCHEMBL10288519 0.82 CDC7 (0.38) MAPK10MAPK8MAPK9NPC1RAB9A
SCHEMBL953124 0.81 MAPK14 (0.47) PIK3C3MAPK8MAPK9PIP5K1CPIK3CA
SCHEMBL627307 0.81 PIK3C3 (0.50) PIK3C3MAPK10MAPK8MAPK9RIOK2
SCHEMBL626764 0.79 MAPK14 (0.44) PIK3C3GSK3APIP5K1CPIK3CAMAPK14
SCHEMBL953912 0.78 MAPK14 (0.42) PIK3C3MAPK14GSK3B
SCHEMBL6842878 0.78 MAPK14 (0.49) PIK3C3MAPK10MAPK8MAPK9PIP5K1C
SCHEMBL623323 0.77 GSK3B (0.49) PIK3C3MAPK10MAPK8MAPK9RIOK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796271-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-20120178723-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120172345-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-05 US disclosed
WO-2012021696-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 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 (4 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-20120172345-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3C3 32/4885MAPK10 1425/4885MAPK8 982/4885
US-20150175563-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3C3 32/4885MAPK10 1425/4885MAPK8 982/4885
US-20120178723-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3C3 55/4885MAPK10 1396/4885MAPK8 1125/4885
US-20150175593-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3C3 55/4885MAPK10 1396/4885MAPK8 1125/4885

“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.