Sugi Predict

Sugi Predict / Compounds / SCHEMBL9612433

SCHEMBL9612433

SCHEMBL9612433

COC(=O)Nc1nc2ccc(-c3cc(C)c4c(c3)CN(C(=O)N3CCC(O)(CF)CC3)CCO4)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ RAF1 P04049 11/20 0.38
▸ BRAF P15056 10/20 0.38
▸ LMNA P02545 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37

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
SCHEMBL9612586 0.91 PIK3CG (0.40) PIK3CAPIK3CGRAF1BRAFLMNA
SCHEMBL9612594 0.90 PIK3CA (0.42) PIK3CAPIK3CGRAF1BRAFLMNA
SCHEMBL7881778 0.90 PIK3CA (0.47) PIK3CARAF1BRAFLMNAHPGD
SCHEMBL9612725 0.88 CREBBP (0.31) RAF1BRAFKDRCYP3A4ADORA2A
SCHEMBL9612436 0.88 PIK3CG (0.42) PIK3CAPIK3CGRAF1BRAFLMNA
SCHEMBL9612755 0.87 PIK3CG (0.45) PIK3CAPIK3CGRAF1BRAFLMNA
SCHEMBL9612590 0.85 PIK3CG (0.46) PIK3CAPIK3CGRAF1BRAFLMNA
SCHEMBL9612584 0.85 RAF1 (0.41) PIK3CARAF1BRAFKDRMEN1
SCHEMBL15433928 0.84 PIK3CG (0.43) PIK3CAPIK3CGRAF1BRAFLMNA
SCHEMBL2728073 0.83 PIK3CA (0.49) PIK3CARAF1BRAF

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
US-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-12-25 — — US disclosed
US-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-12-25 — — US disclosed
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-01-23 — — US disclosed
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-01-23 — — US disclosed
WO-2012071509-A2 BENZOXAZEPINES AS INHIBITORS OF P13K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-31 — — WO 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 (2 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-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885PIK3CG 10/4885RAF1 283/4885
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885PIK3CG 10/4885RAF1 283/4885

“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.