SCHEMBL7770586

SCHEMBL7770586

CNc1ncccc1-c1ccnc(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.40
CDC7 O00311 1/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
DYRK1A Q13627 3/20 0.40
TDO2 P48775 2/20 0.40
PDE10A Q9Y233 3/20 0.39
NFATC1 O95644 1/20 0.39
PDK2 Q15119 1/20 0.39
WNT3A P56704 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
TSHR P16473 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
SCHEMBL7774199 0.79 MKNK2 (0.47) CLK4CDC7ROCK2MAP4K4CDK2
SCHEMBL25628042 0.78 CDC7 (0.44) CLK4CDC7ROCK2MAP4K4CDK2
SCHEMBL17612628 0.77 KDM4E (0.44) CLK4TDO2CYP1A2CYP3A4CYP2D6
SCHEMBL29889826 0.76 CYP11B2 (0.48) GSK3BDYRK1ATDO2PDE10ANFATC1
SCHEMBL2459173 0.76 CYP11B2 (0.48) GSK3BDYRK1ATDO2PDE10ANFATC1
SCHEMBL12887000 0.74 DYRK1A (0.43) CLK4CDC7ROCK2MAP4K4CDK2
SCHEMBL6844999 0.73 DYRK1A (0.51) DYRK1APDE10APIM1DYRK2DYRK1B
SCHEMBL22426647 0.73 PDK2 (0.47) CLK4CDC7ROCK2MAP4K4CDK2
SCHEMBL29157507 0.72 KDM4E (0.56) CDK2MKNK2CYP1A2CYP3A4CYP2D6
SCHEMBL16805020 0.71 TDO2 (0.49) CLK4CDC7ROCK2MAP4K4CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 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 (2 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD CLK4 1005/4885CDC7 673/4885ROCK2 350/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD CLK4 1005/4885CDC7 673/4885ROCK2 350/4885

“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.