SCHEMBL625542

SCHEMBL625542

CC(=O)Nc1cc(-c2nc(NC(=O)c3ccccc3)c(-c3ncc[nH]3)s2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.47
PIP5K1C O60331 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3C3 Q8NEB9 2/20 0.43
IKBKB O14920 1/20 0.43
MAPK13 O15264 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
EGFR P00533 1/20 0.43
MAPK1 P28482 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
FRK P42685 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
CSNK1E P49674 1/20 0.43
MAPK12 P53778 1/20 0.43
CSNK1G2 P78368 1/20 0.43

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
SCHEMBL954285 0.90 PIK3C3 (0.49) MAPK14PIP5K1CPIK3CAPIK3C3
SCHEMBL952377 0.85 MAPK14 (0.48) MAPK14PIP5K1CPIK3CAPIK3C3IKBKB
SCHEMBL6845074 0.82 PIK3C3 (0.49) MAPK14PIP5K1CPIK3CAPIK3C3
SCHEMBL626764 0.82 MAPK14 (0.44) MAPK14PIP5K1CPIK3CAPIK3C3
SCHEMBL6842871 0.81 PIK3C3 (0.48) MAPK14PIP5K1CPIK3CAPIK3C3
SCHEMBL27905830 0.80 PIP5K1C (0.40) MAPK14PIP5K1CPIK3CAPIK3C3IKBKB
SCHEMBL6842841 0.80 PIK3C3 (0.47) MAPK14PIK3C3MAPK13MAPK12MAPK11
SCHEMBL6845017 0.80 MAPK14 (0.49) MAPK14PIP5K1CPIK3CAPIK3C3MAPK8
SCHEMBL6842872 0.79 MAPK14 (0.45) MAPK14PIP5K1CPIK3CAPIK3C3
SCHEMBL6842866 0.79 PIK3C3 (0.42) MAPK14PIP5K1CPIK3CAPIK3C3

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 21 patents — showing the first 20. 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-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
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-20150175593-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-8796271-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-8796271-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
EP-2603214-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2013-06-19 EP disclosed
US-20120178723-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120178723-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 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
US-20120172345-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-05 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
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 MAPK14 1236/4885PIP5K1C 128/4885PIK3CA 5/4885
US-20150175563-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 MAPK14 1236/4885PIP5K1C 128/4885PIK3CA 5/4885
US-20120178723-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 MAPK14 1521/4885PIP5K1C 246/4885PIK3CA 5/4885
US-20150175593-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 MAPK14 1521/4885PIP5K1C 246/4885PIK3CA 5/4885

“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.