SCHEMBL758618

SCHEMBL758618

CCN(CC)CCNC(=O)c1ccc(Nc2nc3ccccn3c2-c2cc(N)nc(C)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.51
MTOR P42345 8/20 0.51
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.45
SLC22A2 O15244 1/20 0.45
SLC22A1 O15245 1/20 0.45
TSHR P16473 1/20 0.45
ACHE P22303 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
BLM P54132 2/20 0.45
PMP22 Q01453 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
RAD52 P43351 1/20 0.42
UBE2N P61088 1/20 0.42
NAMPT P43490 1/20 0.41
NFKB1 P19838 1/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 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
SCHEMBL751862 0.89 PIK3CA (0.56) PIK3CAMTORALDH1A1MAPT
SCHEMBL750438 0.83 PIK3CA (0.57) PIK3CAMTORLMNAALDH1A1POLB
SCHEMBL749847 0.83 PIK3CA (0.53) PIK3CAMTORCYP2C19MAPT
SCHEMBL752570 0.83 PIK3CA (0.61) PIK3CAMTORLMNAALDH1A1SMN1; SMN2
SCHEMBL749918 0.81 PIK3CA (0.54) PIK3CAMTORCYP2C19MAPT
SCHEMBL2775861 0.81 PIK3CA (0.56) PIK3CAMTORLMNACDK2MAPT
SCHEMBL751576 0.80 PIK3CA (0.54) PIK3CAMTOR
SCHEMBL16161723 0.79 PIK3CA (0.53) PIK3CAMTORLMNACDK2MAPT
SCHEMBL2790005 0.78 PIK3CA (0.62) PIK3CAMTORALDH1A1CDK2
SCHEMBL749741 0.78 PIK3CA (0.55) 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 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 21/4885LMNA 3090/4885

“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.