SCHEMBL9612702

SCHEMBL9612702

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.45
HSD11B1 P28845 2/20 0.36
PIK3CG P48736 1/20 0.34
GRM5 P41594 2/20 0.34
HCRTR1 O43613 5/20 0.33
HCRTR2 O43614 5/20 0.33
PARP1 P09874 1/20 0.32
MAPK1 P28482 1/20 0.32
CALCRL Q16602 1/20 0.32
F10 P00742 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL9612495 0.96 PIK3CA (0.45) PIK3CAHSD11B1PIK3CGHCRTR1HCRTR2
SCHEMBL9612760 0.96 PIK3CA (0.47) PIK3CAHSD11B1PIK3CGHCRTR1HCRTR2
SCHEMBL9612489 0.94 PIK3CA (0.44) PIK3CAHSD11B1PIK3CGHCRTR1HCRTR2
SCHEMBL9612466 0.94 PIK3CA (0.46) PIK3CAHSD11B1PIK3CGHCRTR1HCRTR2
SCHEMBL9612746 0.93 PIK3CA (0.46) PIK3CAHSD11B1PIK3CGGRM5HCRTR1
SCHEMBL9612490 0.91 PIK3CA (0.46) PIK3CAHSD11B1PIK3CGHCRTR1HCRTR2
SCHEMBL9612758 0.91 PIK3CA (0.44) PIK3CAHSD11B1GRM5HCRTR1HCRTR2
SCHEMBL2725196 0.91 PIK3CA (0.56) PIK3CAHSD11B1CREBBP
SCHEMBL9612745 0.90 PIK3CA (0.44) PIK3CAHSD11B1PIK3CGPARP1CREBBP
SCHEMBL9612475 0.90 PIK3CA (0.44) PIK3CAHSD11B1PIK3CGGRM5HCRTR1

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

“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.