SCHEMBL749846

SCHEMBL749846

Cc1nc(N)cc(-c2c(Nc3cccc(C(=O)NC(C)C)c3)nc3ccccn23)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.54
MTOR P42345 13/20 0.54
ROCK2 O75116 1/20 0.40
PIK3CB P42338 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CG P48736 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
KLF5 Q13887 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NR2F2 P24468 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL752836 0.90 PIK3CA (0.57) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL749918 0.88 PIK3CA (0.54) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL749847 0.86 PIK3CA (0.53) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL756457 0.86 PIK3CA (0.56) PIK3CAMTORCYP1A2CYP2C9CYP2C19
SCHEMBL749558 0.85 PIK3CA (0.56) PIK3CAMTORROCK2PIK3CBPIK3CD
SCHEMBL751575 0.84 PIK3CA (0.55) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL16161626 0.84 PIK3CA (0.56) PIK3CAMTORPIK3CBLMNA
SCHEMBL756108 0.83 PIK3CA (0.59) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL11027619 0.82 PIK3CA (0.60) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL750438 0.81 PIK3CA (0.57) PIK3CAMTORLMNAALDH1A1GAA

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 21/4885ROCK2 374/4885

“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.