SCHEMBL627307

SCHEMBL627307

CC(=O)Nc1cc(-c2nc(Cc3ccc4ccccc4c3)c(C(=O)O)s2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.50
RIOK2 Q9BVS4 7/20 0.48
MAPK10 P53779 4/20 0.48
GSK3A P49840 4/20 0.48
MAPK8 P45983 2/20 0.47
HIPK1 Q86Z02 1/20 0.47
SNRK Q9NRH2 1/20 0.47
MAPK9 P45984 1/20 0.45
GSK3B P49841 5/20 0.43
MAPK14 Q16539 2/20 0.43
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
AURKA O14965 1/20 0.42
WNT3A P56704 1/20 0.41
PIP5K1C O60331 1/20 0.41
PIK3CA P42336 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL623323 0.88 GSK3B (0.49) PIK3C3RIOK2MAPK10GSK3AMAPK8
SCHEMBL623016 0.83 CDC7 (0.51) RIOK2MAPK10GSK3AMAPK8HIPK1
SCHEMBL10288318 0.81 PIK3C3 (0.46) PIK3C3RIOK2MAPK10GSK3AMAPK8
SCHEMBL954260 0.79 CDC7 (0.60) GSK3BMAPK14SMN1; SMN2
SCHEMBL952802 0.75 GSK3B (0.53) GSK3BMAPK14BCHEACHE
SCHEMBL12947669 0.74 CDC7 (0.45) PIK3C3GSK3BMAPK14PIP5K1CPIK3CA
SCHEMBL956050 0.74 CDC7 (0.49) PIK3C3GSK3BMAPK14BCHEACHE
SCHEMBL13494102 0.74 SMN1; SMN2 (0.48) SMN1; SMN2
SCHEMBL626764 0.73 MAPK14 (0.44) PIK3C3GSK3AGSK3BMAPK14AURKA
SCHEMBL953055 0.73 CDC7 (0.61) GSK3BMAPK14BCHEACHE

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 22 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-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
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
CN-103153300-A Heteroaryls and uses thereof MILLENNIUM PHARM INC 2013-06-12 CN 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 PIK3C3 32/4885RIOK2 986/4885MAPK10 1425/4885
US-20150175563-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3C3 32/4885RIOK2 986/4885MAPK10 1425/4885
US-20120178723-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3C3 55/4885RIOK2 1221/4885MAPK10 1396/4885
US-20150175593-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3C3 55/4885RIOK2 1221/4885MAPK10 1396/4885

“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.