Sugi Predict

Sugi Predict / Compounds / SCHEMBL9612583

SCHEMBL9612583

SCHEMBL9612583

Cc1nc2ccc(-c3cc(C)c4c(c3)CN(C(=O)N3CCC(c5ccccc5)CC3)CCO4)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.48
▸ HTR2B P41595 4/20 0.39
▸ USP2 O75604 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ FASN P49327 3/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.35
▸ BCHE P06276 2/20 0.35
▸ ACHE P22303 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL9612580 0.95 PIK3CA (0.46) PIK3CAHTR2BUSP2PIK3CGUSP30
SCHEMBL9612579 0.92 PIK3CA (0.46) PIK3CAPIK3CGUSP30BCHEACHE
SCHEMBL6126296 0.90 PIK3CA (0.59) PIK3CAHTR2BCREBBP
SCHEMBL9612757 0.89 PIK3CA (0.51) PIK3CAPIK3CGCREBBPHSD11B1
SCHEMBL9612589 0.88 PIK3CA (0.46) PIK3CAKCNH2HRH3BCHEACHE
SCHEMBL9612502 0.88 PIK3CA (0.49) PIK3CAPIK3CGALDH1A1HPGDRAB9A
SCHEMBL9612570 0.88 PIK3CA (0.46) PIK3CAPIK3CGUSP30
SCHEMBL9612499 0.87 PIK3CA (0.53) PIK3CAUSP2PIK3CGALDH1A1HPGD
SCHEMBL9612538 0.87 PIK3CA (0.53) PIK3CAPIK3CGRAB9ASMN1; SMN2CREBBP
SCHEMBL9612736 0.87 PIK3CA (0.49) PIK3CAALDH1A1HPGDPOLBRAB9A

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 3/4885HTR2B 333/4885USP2 3132/4885
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885HTR2B 333/4885USP2 3132/4885

“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.