Sugi Predict

Sugi Predict / Compounds / SCHEMBL9612604

SCHEMBL9612604

SCHEMBL9612604

Cc1nc2ccc(-c3cc(C)c4c(c3)CN(C(=O)N3CCC(F)(F)CC3c3ccccc3)CCO4)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 7/20 0.45
▸ PIK3CG P48736 1/20 0.34
▸ HSD11B1 P28845 2/20 0.33
▸ CREBBP Q92793 3/20 0.33
▸ SLC6A9 P48067 2/20 0.33
▸ BCHE P06276 2/20 0.32
▸ ACHE P22303 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ACACB O00763 1/20 0.31
▸ ACACA Q13085 1/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL2727758 0.91 PIK3CA (0.56) PIK3CACREBBP
SCHEMBL9612578 0.88 PIK3CA (0.46) PIK3CAHSD11B1SLC6A9PRMT5KCNH2
SCHEMBL9612492 0.87 PIK3CA (0.45) PIK3CAHSD11B1CREBBPSLC6A9BCHE
SCHEMBL9612609 0.87 PIK3CA (0.45) PIK3CAPIK3CGHSD11B1SLC6A9PRMT5
SCHEMBL9612576 0.87 PIK3CA (0.45) PIK3CAPIK3CGHSD11B1SLC6A9PRMT5
SCHEMBL9612615 0.87 PIK3CA (0.45) PIK3CAPIK3CGHSD11B1SLC6A9PRMT5
SCHEMBL9612756 0.86 PIK3CA (0.45) PIK3CAPIK3CGHSD11B1SLC6A9PRMT5
SCHEMBL15433944 0.86 PIK3CA (0.37) PIK3CACREBBPSLC6A9PRMT5KCNH2
SCHEMBL9612613 0.86 PIK3CA (0.37) PIK3CACREBBPSLC6A9PRMT5KCNH2
SCHEMBL9612468 0.86 PIK3CA (0.44) PIK3CAPIK3CGHSD11B1CREBBPSLC6A9

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 10/4885HSD11B1 575/4885
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885PIK3CG 10/4885HSD11B1 575/4885

“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.