SCHEMBL755730

SCHEMBL755730

Cc1nc(N)cc(-c2c(Nc3ccc(C(=O)Nc4ccccc4)nc3)nc3ccccn23)n1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.57
MTOR P42345 10/20 0.57
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
XIAP P98170 1/20 0.39
BIRC2 Q13490 1/20 0.39

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
SCHEMBL750340 0.92 PIK3CA (0.58) PIK3CAMTORCCNE1CDK2XIAP
SCHEMBL751575 0.90 PIK3CA (0.55) PIK3CAMTORXIAPBIRC2
SCHEMBL749741 0.90 PIK3CA (0.55) PIK3CAMTOR
SCHEMBL750438 0.88 PIK3CA (0.57) PIK3CAMTORCCNE1CDK2SMN1; SMN2
SCHEMBL751576 0.88 PIK3CA (0.54) PIK3CAMTOR
SCHEMBL2790005 0.87 PIK3CA (0.62) PIK3CAMTORCCNE1CDK2
SCHEMBL756457 0.84 PIK3CA (0.56) PIK3CAMTORSMN1; SMN2RAB9AKMT2A
SCHEMBL11027619 0.84 PIK3CA (0.60) PIK3CAMTORCCNE1CDK2SMN1; SMN2
SCHEMBL11028397 0.83 PIK3CA (0.59) PIK3CAMTORCCNE1CDK2LMNA
SCHEMBL750596 0.82 PIK3CA (0.56) PIK3CAMTORCCNE1CDK2SMN1; SMN2

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 5 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

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 21/4885CCNE1 1797/4885

“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.