SCHEMBL752499

SCHEMBL752499

Cc1nc(Nc2cnn([C@H]3CCOC3)c2)cc(-c2c(Nc3cc[nH]n3)nc3ccccn23)n1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.60
MTOR P42345 8/20 0.60
PTK2 Q05397 1/20 0.34
IRAK4 Q9NWZ3 5/20 0.34
JAK2 O60674 3/20 0.33
JAK1 P23458 2/20 0.33
JAK3 P52333 2/20 0.33
LRRK2 Q5S007 1/20 0.33
TYK2 P29597 1/20 0.33
NAMPT P43490 1/20 0.33
RPS6KA2 Q15349 1/20 0.32

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
SCHEMBL756490 1.00 PIK3CA (0.60) PIK3CAMTORPTK2IRAK4JAK2
SCHEMBL2790762 0.88 PIK3CA (0.77) PIK3CAMTORPTK2IRAK4JAK2
SCHEMBL758298 0.88 PIK3CA (0.77) PIK3CAMTORPTK2IRAK4JAK2
SCHEMBL11028412 0.76 PIK3CA (0.57) PIK3CAMTORJAK2JAK1JAK3
SCHEMBL765755 0.73 PIK3CA (0.66) PIK3CAMTOR
SCHEMBL752556 0.73 MTOR (0.72) PIK3CAMTOR
SCHEMBL11893326 0.70 PIK3CA (0.47) PIK3CAMTORPTK2IRAK4JAK2
SCHEMBL2773478 0.69 PIK3CA (0.47) PIK3CAMTOR
SCHEMBL756343 0.68 PIK3CA (0.60) PIK3CAMTOR
SCHEMBL2787112 0.67 PIK3CA (0.45) PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP claimed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US claimed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP disclosed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 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 (1 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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD PIK3CA 1/4885MTOR 21/4885PTK2 103/4885

“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.