SCHEMBL9612759

SCHEMBL9612759

Cc1nc2ccc(-c3cc(C)c4c(c3)CN(C(=O)N3CCC(=O)CC3c3cccc(F)c3)CCO4)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.43
GPR142 Q7Z601 1/20 0.33
HSD11B1 P28845 2/20 0.32
PIK3CG P48736 1/20 0.32
HCRTR1 O43613 4/20 0.32
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR3 P22607 1/20 0.31
HCRTR2 O43614 3/20 0.31
SCD5 Q86SK9 2/20 0.31
HPGD P15428 1/20 0.31
ABL1 P00519 1/20 0.31
ABCB1 P08183 1/20 0.31
KIF11 P52732 1/20 0.30
NAMPT P43490 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL9612558 0.93 PIK3CA (0.37) PIK3CAGPR142HSD11B1PIK3CGHCRTR1
SCHEMBL15433941 0.92 PIK3CA (0.44) PIK3CAHSD11B1PIK3CGHCRTR1HCRTR2
SCHEMBL9612549 0.92 ABL1 (0.39) PIK3CAGPR142PIK3CGHCRTR1ABL1
SCHEMBL9612745 0.91 PIK3CA (0.44) PIK3CAHSD11B1PIK3CG
SCHEMBL2727152 0.91 PIK3CA (0.54) PIK3CAGPR142
SCHEMBL9612758 0.90 PIK3CA (0.44) PIK3CAHSD11B1HCRTR1HCRTR2SCD5
SCHEMBL9612431 0.90 RAF1 (0.39) PIK3CAGPR142PIK3CGHPGDABL1
SCHEMBL9612488 0.89 HCRTR1 (0.33) PIK3CAGPR142HCRTR1HPGD
SCHEMBL13196190 0.85 PIK3CA (0.47) PIK3CAGPR142
SCHEMBL9612478 0.85 HCRTR1 (0.32) HCRTR1KIF11

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 3/4885GPR142 1660/4885HSD11B1 575/4885
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885GPR142 1660/4885HSD11B1 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.