Sugi Predict

Sugi Predict / Compounds / SCHEMBL9612481

SCHEMBL9612481

SCHEMBL9612481

Cc1nc2ccc(-c3cc(C)c4c(c3)CN(C(=O)N3CCCCC3c3ccc(C(F)(F)F)cc3)CCO4)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.48
▸ HSD11B1 P28845 2/20 0.37
▸ HCRTR1 O43613 5/20 0.37
▸ HCRTR2 O43614 5/20 0.37
▸ TACR1 P25103 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ ACACA Q13085 1/20 0.35
▸ PDE2A O00408 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ SLC6A9 P48067 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ ENPP2 Q13822 1/20 0.33

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
SCHEMBL9612700 0.94 PIK3CA (0.48) PIK3CAHSD11B1HCRTR1HCRTR2TACR1
SCHEMBL9612465 0.93 PIK3CA (0.46) PIK3CAHSD11B1HCRTR1HCRTR2TACR1
SCHEMBL9612746 0.92 PIK3CA (0.46) PIK3CAHSD11B1HCRTR1HCRTR2TACR1
SCHEMBL2725828 0.91 PIK3CA (0.59) PIK3CAHSD11B1HCRTR1HCRTR2
SCHEMBL9612615 0.91 PIK3CA (0.45) PIK3CAHSD11B1HCRTR1HCRTR2SLC6A9
SCHEMBL9612609 0.91 PIK3CA (0.45) PIK3CAHSD11B1HCRTR1HCRTR2SLC6A9
SCHEMBL9612576 0.91 PIK3CA (0.45) PIK3CAHSD11B1HCRTR1HCRTR2SLC6A9
SCHEMBL9612756 0.90 PIK3CA (0.45) PIK3CAHSD11B1HCRTR1HCRTR2SLC6A9
SCHEMBL9612472 0.90 PIK3CA (0.43) PIK3CAHSD11B1HCRTR1HCRTR2PIK3CG
SCHEMBL9612702 0.90 PIK3CA (0.45) PIK3CAHSD11B1HCRTR1HCRTR2PIK3CG

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 3/4885HSD11B1 575/4885HCRTR1 1302/4885
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885HSD11B1 575/4885HCRTR1 1302/4885

“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.