SCHEMBL626443

SCHEMBL626443

C=CCn1ccnc1-c1sc(-c2ccnc(NC(C)=O)c2)nc1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.43
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
GSK3B P49841 4/20 0.40
AURKA O14965 1/20 0.40
GSK3A P49840 1/20 0.40
PIP5K1C O60331 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3C3 Q8NEB9 3/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
EGFR P00533 1/20 0.37
WNT3A P56704 1/20 0.37

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
SCHEMBL625725 0.86 MAPK14 (0.41) MAPK14GSK3BPIK3C3
SCHEMBL954525 0.80 CDC7 (0.41) MAPK14MEN1MAPTKMT2APIK3C3
SCHEMBL12947400 0.80 MAPK14 (0.41) MAPK14PIK3C3EGFR
SCHEMBL626764 0.77 MAPK14 (0.44) MAPK14MEN1MAPTKMT2AGSK3B
SCHEMBL16850488 0.76 GSK3B (0.44) MAPK14MEN1MAPTKMT2AGSK3B
SCHEMBL953330 0.73 PIK3C3 (0.40) MAPK14MEN1MAPTKMT2APIK3C3
SCHEMBL10006297 0.72 MAPK14 (0.39) MAPK14GSK3BPIK3C3
SCHEMBL626255 0.72 TSHR (0.39) MEN1MAPTKMT2APIK3CA
SCHEMBL10006141 0.71 MAPK14 (0.37) MAPK14GSK3BPIK3C3
SCHEMBL10288547 0.71 PIK3C3 (0.43) MAPK14MEN1MAPTKMT2AGSK3B

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-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
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 1236/4885MEN1 1909/4885MAPT 4837/4885
US-20150175563-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 MAPK14 1236/4885MEN1 1909/4885MAPT 4837/4885
US-20120178723-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 MAPK14 1521/4885MEN1 2290/4885MAPT 4833/4885
US-20150175593-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 MAPK14 1521/4885MEN1 2290/4885MAPT 4833/4885

“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.