Sugi Predict

Sugi Predict / Compounds / SCHEMBL9612436

SCHEMBL9612436

SCHEMBL9612436

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 1/20 0.42
▸ PIK3CA P42336 1/20 0.39
▸ AURKA O14965 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ LMNA P02545 8/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ HPGD P15428 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ RAF1 P04049 2/20 0.37
▸ BRAF P15056 2/20 0.37
▸ CYP1A2 P05177 5/20 0.37
▸ HIF1A Q16665 4/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ KDR P35968 2/20 0.37
▸ TUBB4A P04350 2/20 0.37
▸ TUBB P07437 2/20 0.37
▸ TUBA3C P0DPH7 2/20 0.37
▸ TUBA1B P68363 2/20 0.37
▸ TUBA4A P68366 2/20 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
SCHEMBL15433932 0.93 PIK3CG (0.50) PIK3CGPIK3CAAURKAAURKBRAF1
SCHEMBL9612755 0.92 PIK3CG (0.45) PIK3CGPIK3CAAURKAAURKBLMNA
SCHEMBL9612590 0.90 PIK3CG (0.46) PIK3CGPIK3CAAURKAAURKBLMNA
SCHEMBL9612559 0.90 PIK3CA (0.42) PIK3CGPIK3CAAURKAAURKBTUBB4A
SCHEMBL13173983 0.90 PIK3CA (0.48) PIK3CAAURKAAURKBLMNASMN1; SMN2
SCHEMBL15433928 0.89 PIK3CG (0.43) PIK3CGPIK3CAAURKAAURKBLMNA
SCHEMBL9612749 0.88 GRIN2B (0.33) PIK3CGLMNAHIF1AMAPK1KDR
SCHEMBL9612433 0.88 PIK3CA (0.39) PIK3CGPIK3CAAURKAAURKBLMNA
SCHEMBL9612498 0.87 PIK3CG (0.43) PIK3CGPIK3CAAURKAAURKBLMNA
SCHEMBL9612548 0.87 PIK3CA (0.42) PIK3CGPIK3CA

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 PIK3CG 10/4885PIK3CA 3/4885AURKA 2405/4885
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA PIK3CG 10/4885PIK3CA 3/4885AURKA 2405/4885

“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.