SCHEMBL751744

SCHEMBL751744

Cc1nc(N)cc(-c2c(Nc3ccc(NC(=O)N4CCCC4)cc3)nc3cccnn23)n1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.57
MTOR P42345 10/20 0.57
PDE4B Q07343 6/20 0.40
PDE4D Q08499 6/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
PDE4A P27815 4/20 0.39
PDE4C Q08493 4/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
KLK7 P49862 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
SCHEMBL753756 0.99 PIK3CA (0.56) PIK3CAMTORPDE4BPDE4DABL1
SCHEMBL751191 0.98 PIK3CA (0.57) PIK3CAMTORPDE4BPDE4DABL1
SCHEMBL753798 0.93 PIK3CA (0.55) PIK3CAMTORPDE4BPDE4DABL1
SCHEMBL754291 0.93 PIK3CA (0.55) PIK3CAMTORABL1BCRKDM4E
SCHEMBL751462 0.92 PIK3CA (0.54) PIK3CAMTORRAB9ANPC1KDM4E
SCHEMBL2772531 0.88 PIK3CA (0.52) PIK3CAMTORPDE4BPDE4DRAB9A
SCHEMBL2787401 0.87 PIK3CA (0.52) PIK3CAMTORALDH1A1HPGD
SCHEMBL764269 0.86 MTOR (0.50) PIK3CAMTORPDE4BPDE4DPDE4A
SCHEMBL11029742 0.84 PIK3CA (0.70) PIK3CAMTOR
SCHEMBL11029184 0.83 PIK3CA (0.56) PIK3CAMTORPDE4BPDE4DPDE4A

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 21/4885PDE4B 2280/4885

“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.