SCHEMBL749741

SCHEMBL749741

CCNC(=O)c1ccc(Nc2nc3ccccn3c2-c2cc(N)nc(C)n2)cn1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.55
MTOR P42345 10/20 0.55
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PSEN1 P49768 8/20 0.41
PSEN2 P49810 8/20 0.41
APH1B Q8WW43 8/20 0.41
NCSTN Q92542 8/20 0.41
APH1A Q96BI3 8/20 0.41
PSENEN Q9NZ42 8/20 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
SCHEMBL751576 0.93 PIK3CA (0.54) PIK3CAMTOR
SCHEMBL750340 0.91 PIK3CA (0.58) PIK3CAMTOR
SCHEMBL755730 0.90 PIK3CA (0.57) PIK3CAMTOR
SCHEMBL751575 0.88 PIK3CA (0.55) PIK3CAMTOR
SCHEMBL751862 0.88 PIK3CA (0.56) PIK3CAMTORKDM4ENPSR1HSD17B10
SCHEMBL749918 0.84 PIK3CA (0.54) PIK3CAMTORKDM4ENPSR1HSD17B10
SCHEMBL2775861 0.84 PIK3CA (0.56) PIK3CAMTORKDM4ENPSR1HSD17B10
SCHEMBL2773726 0.83 PIK3CA (0.51) PIK3CAMTORKDM4ENPSR1HSD17B10
SCHEMBL752472 0.81 PIK3CA (0.54) PIK3CAMTORKDM4ENPSR1HSD17B10
SCHEMBL752570 0.79 PIK3CA (0.61) PIK3CAMTORKDM4ENPSR1

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 21/4885KDM4E 1665/4885

“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.